2-{3-[(Methylsulfamoyl)Amino]-2-Oxo-6-Phenyl-1(2H)-Pyridinyl}-N-[(3S)-1,1,1-Trifluoro-4-Methyl-2-Oxo-3-Pentanyl]Acetamide

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Properties Simple | Detailed

Formula C20H23F3N4O5S+
IUPAC Name 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-pyridin-1-ium-3-ylium-1-yl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]acetamide
Molecular Mass 488.481 g·mol−1
Heat of Formation -1340.4 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 534.85 Å 3
Surface Area 436.05 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-keto-3-(methylsulfamoylamino)-6-phenyl-1-pyridyl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-keto-propyl]acetamide
  • 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridyl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]acetamide
  • 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridyl]-n-[(1s)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]acetamide
  • 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-pyridin-1-yl]-n-[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]ethanamide
  • 3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide
  • tfk
InChIKey MYFMPKCOIMRDDD-KRWDZBQOSA-N
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