2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C24H27N3O6S2 — CID 1210669

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O6S2/c1-4-33-22-15-13-20(14-16-22)27(35(31,32)23-11-6-5-7-12-23)18-24(28)25-19-9-8-10-21(17-19)26(2)34(3,29)30/h5-17H,4,18H2,1-3H3,(H,25,28)
InChIKeyUNTPLFAHVZNYHT-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.32
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1210669) has the molecular formula C24H27N3O6S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1210669
Molecular FormulaC24H27N3O6S2
Molecular Weight517.63 g/mol
Exact Mass517.13
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O6S2/c1-4-33-22-15-13-20(14-16-22)27(35(31,32)23-11-6-5-7-12-23)18-24(28)25-19-9-8-10-21(17-19)26(2)34(3,29)30/h5-17H,4,18H2,1-3H3,(H,25,28)
InChIKeyUNTPLFAHVZNYHT-UHFFFAOYSA-N
XLogP3.32
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1210669) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is CCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is UNTPLFAHVZNYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S2/c1-4-33-22-15-13-20(14-16-22)27(35(31,32)23-11-6-5-7-12-23)18-24(28)25-19-9-8-10-21(17-19)26(2)34(3,29)30/h5-17H,4,18H2,1-3H3,(H,25,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 517.63 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1210669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).