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N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺 | 90356-78-8

N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺
Bicalutamide Sulfide
90356-78-8
C18H14F4N2O2S
398.374577045441
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺结构式
名称和标识符
MDL MFCD08235143
InChIKey GCGWWKKSGPETMI-UHFFFAOYSA-N
Inchi 1S/C18H14F4N2O2S/c1-17(26,10-27-14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
SMILES N#CC1C(C(F)(F)F)=CC(NC(C(CSC2C=CC(F)=CC=2)(C)O)=O)=CC=1
别名信息
- 中文别名 -
  • N-[4-氰基-3-(三氟甲基)苯基]-3-[(4-氟苯基)硫基]-2-羟基-2-甲基丙酰胺
  • N-[4-氰基-3-(三氟甲基)苯基]-3-(4-氟苯巯基)-2-羟基-2-甲基丙酰胺
  • 1,2-环氧-2-甲基-N-[4-氰基--3-(三氟甲基)苯基]-丙烯酰胺
  • 3-氯苯基碘化锌
  • N-[4-氰基-3-(三氟甲基)苯基]-3-
  • 比卡鲁胺硫(比卡鲁胺EP杂质J)
  • 硫化比卡鲁胺
  • 硫化比鲁卡胺
- 英文别名 -
  • N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide
  • BICALUTAMIDE-SULFIDE (BICALUTAMIDE ASH)
  • n-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide
  • Bicalutamide Intermediate
  • N-[4-Cyano-3-trifluoromethy phenyl]-S-(4-fluorophenylthio)-2-hydrdoxy-2-methyl-propionamide
  • 4-OYANO-3-TRIFLUOROMETHYL-N-[3-(4-FLUOROPHENYLTHIO)-2-HYDROXYL-2-METHYLPROPIONYL]ANILINE
  • Bicalutamide Sulfide
  • N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluoro-phenyl)thio)-2-hydroxy-2-methylpropanamide
  • N-[4-Cyano-3-(Trifluoromethyl)Phenyl]-3-[(4-Fluorophenyl)thio]-2-Hydroxy-2-Methy
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide
  • 4-cyano-3-trifluoromethyl-N-(3-p-fluorophenylthio-2-hydroxy-2-methylpropionyl)aniline
  • 4-CYANO-3-TRIFLUOROMETHYL-N-[3-(4-FLUOROPHENYLTHIO)-2-HYDROXYL-2-METHYLPROPIONYL]ANILINE
  • INTERMEDIATE OF BICALUTAMIDE
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfanyl]-2-hydroxy-2-methylpropanamide
  • N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)THIO]-2-HYDROXY-2-MET
  • Propanamide,N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-,(?à)-
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy-2-methylpropionamide
  • Propanamide,N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-
  • N-[4-Cyano-3-(Trifluoromethyl)phenyl]-3-[(4-Fluorophenyl)thio]-2-Hydroxy-2-Methyl Propionamide
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide
  • N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluoro-phenyl)thio)-2-hydroxy-2-methylpropan
  • N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide (ACI)
  • Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, (±)- (ZCI)
物化性质
实验特性
LogP 4.27098
PSA 98.42000
沸点 565.6°C at 760 mmHg
熔点 109-111°C
计算特性
精确分子量 398.07100
氢键供体数量 2
氢键受体数量 8
可旋转化学键数量 5
重原子数量 27
复杂度 571
拓扑分子极性表面积 98.4
合成路线

合成路线:1 步

反应条件:
参考文献:
A process for preparing N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-propanamide and its isomers useful as intermediates for manufacturing bicalutamide
, China, , ,

合成路线:1 步

反应条件:
参考文献:
DMSO-Mediated Difunctionalization of Electron-Deficient Olefins to Access β-Hydroxysulfides with High Chemoselectivity
Gao, Bao ; Liu, Xiaojun; Yan, Qian; Yang, Ruiting; Jiang, Tao; et al, Synthesis, 2022, 54(9), 2258-2266

合成路线:1 步

反应条件:
参考文献:
Auto-oxidative hydroxysulfenylation of alkenes
Huo, Congde; Wang, Yajun; Yuan, Yong; Chen, Fengjuan; Tang, Jing, Chemical Communications (Cambridge, 2016, 52(45), 7233-7236
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