2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-N-(4-ethoxyphenyl)benzamide

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Basic information

CAS: 5736-07-2
Standard SMILES: CCOc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIKey: FWXDGWGTOOXYBM-UHFFFAOYSA-N
Molecular formula: C29H28N2O5S
Average molar mass: 516.6 g/mol
Monoisotopic mass: 516.17189317

Names & identifiers

Preferred name: 2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-N-(4-ethoxyphenyl)benzamide
IUPAC: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide

Names & synonyms

2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-N-(4-ethoxyphenyl)benzamide5736-07-2Oprea1_310420DTXSID503621452-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamideSTL138438AKOS0003849262-(N-Benzyl-4-methoxybenzene-1-sulfonamido)-N-(4-ethoxyphenyl)benzamide

Database identifiers

CAS: 5736-07-2
PubChem CID: 1362831
DTXSID: DTXSID50362145

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 93.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 37
Formal charge: 0
Complexity: 794

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Compound notes

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