2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C25H28N2O6S — CID 30304410

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-4-33-21-13-11-20(12-14-21)27(34(29,30)22-8-6-5-7-9-22)18-25(28)26-17-19-10-15-23(31-2)24(16-19)32-3/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyKHAZPQZIQCHONU-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.61
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 30304410) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID30304410
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-4-33-21-13-11-20(12-14-21)27(34(29,30)22-8-6-5-7-9-22)18-25(28)26-17-19-10-15-23(31-2)24(16-19)32-3/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyKHAZPQZIQCHONU-UHFFFAOYSA-N
XLogP3.61
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 99952343
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
N-[(4-ethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30273048
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 43896982
N-[(3,4-diethoxyphenyl)methyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249333
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30174005
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 30304410) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is CCOc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is KHAZPQZIQCHONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-4-33-21-13-11-20(12-14-21)27(34(29,30)22-8-6-5-7-9-22)18-25(28)26-17-19-10-15-23(31-2)24(16-19)32-3/h5-16H,4,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.61, 11 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-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30304410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).