3-[4-[(5-Formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl]-N-[(methylamino)carbonyl]-5-(2-methylpropyl)-2-thiophenesulfonamide

HCID 9808043

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Basic information

CAS: 304462-20-2
Standard SMILES: CNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(OC)c2C=O)cc1
InChIKey: FCCFMHJUVOCUBS-UHFFFAOYSA-N
Molecular formula: C28H30N4O5S2
Average molar mass: 566.7 g/mol
Monoisotopic mass: 566.16576242

Names & identifiers

Preferred name: 3-[4-[(5-Formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl]-N-[(methylamino)carbonyl]-5-(2-methylpropyl)-2-thiophenesulfonamide
IUPAC: 1-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonyl-3-methylurea

Names & synonyms

SCHEMBL24637534DTXSID8011019223-[4-[(5-Formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl]-N-[(methylamino)carbonyl]-5-(2-methylpropyl)-2-thiophenesulfonamide304462-20-2

Database identifiers

CAS: 304462-20-2
PubChem CID: 9808043
DTXSID: DTXSID801101922

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 156 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 39
Formal charge: 0
Complexity: 915

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