Basic information
- Standard SMILES
O=C(CC1CCCC1)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1- InChIKey
MBEOPVLOSQGEDH-UHFFFAOYSA-N- Molecular formula
- C21H23F3N2O3S2
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.11021943
Names & identifiers
- Preferred name
- 2-cyclopentyl-N-[2-[2-[[3-(trifluoromethyl)-phenyl]sulfonyl]-ethylsulfanyl]-pyridin-3-yl]acetamide
- IUPAC
- 2-cyclopentyl-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
Names & synonyms
2-cyclopentyl-N-[2-[2-[[3-(trifluoromethyl)-phenyl]sulfonyl]-ethylsulfanyl]-pyridin-3-yl]acetamideSCHEMBL1722051
Database identifiers
- PubChem CID
- 46917439
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 691
Related reactions
2 records
Compound notes
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