Basic information
- CAS
77711-84-3- Standard SMILES
CN1CC(C(=O)N(C)c2ccc(Sc3ccccc3)cc2)C(=O)C1=O- InChIKey
ZMFQCKGRFZAIRV-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.10381361
Names & identifiers
- Preferred name
- 3-Pyrrolidinecarboxamide, N,1-dimethyl-4,5-dioxo-N-(4-(phenylthio)phenyl)-
- IUPAC
- N,1-dimethyl-4,5-dioxo-N-(4-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
Names & synonyms
BRN 5134522N,1-Dimethyl-4,5-dioxo-N-(4-(phenylthio)phenyl)-3-pyrrolidinecarboxamide77711-84-33-Pyrrolidinecarboxamide, N,1-dimethyl-4,5-dioxo-N-(4-(phenylthio)phenyl)-N-Methyl-N-((4-phenylthio)phenyl)-2,3-dioxo-1-methylpyrrolidine-3-carboxamideRefChem:282441CHEMBL353071DTXSID30998926N,1-Dimethyl-4,5-dioxo-N-[4-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
Database identifiers
- CAS
77711-84-3- PubChem CID
- 3060100
- DTXSID
DTXSID30998926- ChEMBL
CHEMBL353071
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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