Pac-14028
(E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
Molecular Identity
Pac-14028
(E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
PubChem CID: 56649347
2D Structure
Properties
C21H22F5N3O3S
Molecular Formula
491.50
Molecular Weight
g/mol
491.1302
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
96.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=C(C=CC(=N1)C(F)(F)F)C=CC(=O)NC(C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)FIsomeric SMILES
SMILES: CCCC1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)N[C@H](C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)FSynonyms(20)
asivatrepPAC-14028PAC 14028ASIVATREP [INN](E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamideASIVATREP [WHO-DD]UNII-3VF7K7Z10BExample 230 [US7858621]Example 230 (US7858621)(2E)-N-((1R)-1-(3,5-DIFLUORO-4-(METHANESULFONAMIDO)PHENYL)ETHYL)-3-(2-PROPYL-6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)PROP-2-ENAMIDE(2E)-N-[(1R)-1-(3,5-difluoro-4-methanesulfonamidophenyl)ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamideasivatrepum(2E)-N-((1R)-1-(3,5-difluoro-4-methanesulfonamidophenyl)ethyl)-3-(2-propyl-6-(trifluoromethyl)pyridin-3-yl)prop-2-enamide(E)-N-((1R)-1-(3,5-difluoro-4-(methanesulfonamido)phenyl)ethyl)-3-(2-propyl-6-(trifluoromethyl)pyridin-3-yl)prop-2-enamideRefChem:169430
Data from PubChem (NCBI)
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