N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

HCID 72335637
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Basic information

Standard SMILES
C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2SCCC)cc(F)c1NS(C)(=O)=O
InChIKey
YYLWFAKCSSPZDW-UHFFFAOYSA-N
Molecular formula
C22H21F4N3O3S2
Average molar mass
515.5 g/mol
Monoisotopic mass
515.09604654

Names & identifiers

Preferred name
N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
IUPAC
N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

Names & synonyms

SCHEMBL3780231YYLWFAKCSSPZDW-UHFFFAOYSA-NN-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Database identifiers

PubChem CID
72335637

Properties

Computed structural properties

XLogP
4
Topological polar surface area
122 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
34

Related reactions

1 records
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Compound notes

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