2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide

C24H26N2O4S — CID 1363540

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide
SMILESCCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-23-17-11-10-16-22(23)26(31(28,29)21-14-8-5-9-15-21)19-24(27)25(2)18-20-12-6-4-7-13-20/h4-17H,3,18-19H2,1-2H3
InChIKeyOKLNQKMSUWPKMB-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.94
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide (PubChem CID 1363540) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide
PubChem CID1363540
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide
SMILESCCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-23-17-11-10-16-22(23)26(31(28,29)21-14-8-5-9-15-21)19-24(27)25(2)18-20-12-6-4-7-13-20/h4-17H,3,18-19H2,1-2H3
InChIKeyOKLNQKMSUWPKMB-UHFFFAOYSA-N
XLogP3.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide (CID 1363540) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide is CCOc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide?
The InChIKey is OKLNQKMSUWPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-30-23-17-11-10-16-22(23)26(31(28,29)21-14-8-5-9-15-21)19-24(27)25(2)18-20-12-6-4-7-13-20/h4-17H,3,18-19H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide has a molecular weight of 438.55 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 1363540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).