(2R)-3-[(4-Acetamidophenyl)Sulfanyl]-N-[4-Cyano-3-(Trifluoromethyl)Phenyl]-2-Hydroxy-2-Methylpropanamide

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Properties Simple | Detailed

Formula C20H18F3N3O3S
IUPAC Name (2r)-3-(4-acetamidophenyl)sulfanyl-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide
Molecular Mass 437.435 g·mol−1
Heat of Formation -959.5 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 496.29 Å 3
Surface Area 370.0 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-(4-acetamidophenyl)sulfanyl-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide
  • (2r)-3-[(4-acetamidophenyl)thio]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propionamide
  • (2r)-3-[(4-acetamidophenyl)thio]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
InChIKey FEDHYHIWSREKGN-IBGZPJMESA-N
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