4-{[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide

HCID 6202118

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Basic information

CAS: 371141-59-2
Standard SMILES: COc1ccc(C2/C(=C(/O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1
InChIKey: QSKNUXNCAMCUQO-XDOYNYLZSA-N
Molecular formula: C24H29N3O6S
Average molar mass: 487.6 g/mol
Monoisotopic mass: 487.17770683

Names & identifiers

Preferred name: 4-{[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide
IUPAC: 4-[(Z)-[1-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide

Names & synonyms

Oprea1_330917Oprea1_7985004-{[1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamideSR-01000487497SR-01000487497-1

Database identifiers

CAS: 371141-59-2
PubChem CID: 6202118
EC Number: 124-873-3

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 879

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