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Basic information
- Standard SMILES
CCC(C)Cc1nc(C(F)(F)F)ccc1C=CC(=O)NC(C)c1ccc(NS(C)(=O)=O)c(F)c1- InChIKey
JOTTXPQWXUXXDA-UHFFFAOYSA-N- Molecular formula
- C23H27F4N3O3S
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.17092555
Names & identifiers
- Preferred name
- N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(2-methylbutyl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
- IUPAC
- N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(2-methylbutyl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
Names & synonyms
SCHEMBL3778625
Database identifiers
- PubChem CID
- 68782814
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 800
Related reactions
1 records
Compound notes
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