2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)benzamide

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Basic information

CAS: 7062-69-3
Standard SMILES: Cc1ccc(NC(=O)c2ccccc2SC2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1
InChIKey: FZTWOBAXSBYBDB-UHFFFAOYSA-N
Molecular formula: C25H19F3N2O3S
Average molar mass: 484.5 g/mol
Monoisotopic mass: 484.10684813

Names & identifiers

Preferred name: 2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)benzamide
IUPAC: 2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)benzamide

Names & synonyms

7062-69-32-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)benzamideDTXSID50414234AKOS002773769AKOS0161028402-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)-N-(4-methylphenyl)benzamide

Database identifiers

CAS: 7062-69-3
PubChem CID: 5263449
DTXSID: DTXSID50414234

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 91.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 769

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Compound notes

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