3-[2-(butan-2-ylamino)-6-(trifluoromethyl)pyridin-3-yl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

HCID 68784249
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Basic information

Standard SMILES
CCC(C)Nc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIKey
URJHBKUDAAOMNB-UHFFFAOYSA-N
Molecular formula
C21H23F5N4O3S
Average molar mass
506.5 g/mol

Names & identifiers

Preferred name
3-[2-(butan-2-ylamino)-6-(trifluoromethyl)pyridin-3-yl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
IUPAC
3-[2-(butan-2-ylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

Names & synonyms

SCHEMBL3781690URJHBKUDAAOMNB-UHFFFAOYSA-N3-[2-(butan-2-ylamino)-6-(trifluoromethyl)pyridin-3-yl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

Database identifiers

PubChem CID
68784249

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
109 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
34

Related reactions

1 records
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Compound notes

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