2,2'-[(5-Acetamido-2-methoxybenzene-1-sulfonyl)azanediyl]bis[N-(4-methylphenyl)acetamide]

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Basic information

CAS: 571919-29-4
Standard SMILES: COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(C)cc1
InChIKey: VKJQESULAQXELJ-UHFFFAOYSA-N
Molecular formula: C27H30N4O6S
Average molar mass: 538.6 g/mol
Monoisotopic mass: 538.18860586

Names & identifiers

Preferred name: 2,2'-[(5-Acetamido-2-methoxybenzene-1-sulfonyl)azanediyl]bis[N-(4-methylphenyl)acetamide]
IUPAC: 2-[(5-acetamido-2-methoxyphenyl)sulfonyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

Names & synonyms

DTXSID201122855AKOS008029861571919-29-4Z569307282,2'-[(5-Acetamido-2-methoxybenzene-1-sulfonyl)azanediyl]bis[N-(4-methylphenyl)acetamide]Acetamide, 2,2a(2)-[[[5-(acetylamino)-2-methoxyphenyl]sulfonyl]imino]bis[N-(4-methylphenyl)-

Database identifiers

CAS: 571919-29-4
PubChem CID: 3943012
DTXSID: DTXSID201122855

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 142 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 38
Formal charge: 0
Complexity: 869

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Compound notes

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