3-(2-butoxy-6-trifluoromethyl-pyridin-3-yl)-N-(3-fluoro-4-methanesulfonylamino-benzyl)-acrylamide

HCID 68782859
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Basic information

Standard SMILES
CCCCOc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1
InChIKey
OXSLEZGZYJOUJS-UHFFFAOYSA-N
Molecular formula
C21H23F4N3O4S
Average molar mass
489.5 g/mol
Monoisotopic mass
489.13454005

Names & identifiers

Preferred name
3-(2-butoxy-6-trifluoromethyl-pyridin-3-yl)-N-(3-fluoro-4-methanesulfonylamino-benzyl)-acrylamide
IUPAC
3-[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

Names & synonyms

3-(2-butoxy-6-trifluoromethyl-pyridin-3-yl)-N-(3-fluoro-4-methanesulfonylamino-benzyl)-acrylamideSCHEMBL3778749

Database identifiers

PubChem CID
68782859

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
33

Related reactions

3 records
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Compound notes

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