2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C23H25N3O5S2 — CID 2267231

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H25N3O5S2/c1-30-18-11-12-20(21(16-18)31-2)26(33(28,29)19-8-4-3-5-9-19)17-22(27)24-14-15-32-23-10-6-7-13-25-23/h3-13,16H,14-15,17H2,1-2H3,(H,24,27)
InChIKeyGFZPQQZGVWZUNF-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.20
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 2267231) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID2267231
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H25N3O5S2/c1-30-18-11-12-20(21(16-18)31-2)26(33(28,29)19-8-4-3-5-9-19)17-22(27)24-14-15-32-23-10-6-7-13-25-23/h3-13,16H,14-15,17H2,1-2H3,(H,24,27)
InChIKeyGFZPQQZGVWZUNF-UHFFFAOYSA-N
XLogP3.20
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)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

2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
2-[(2-ethoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2275984
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151
2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 5308619
N-cyclohexyl-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
CID 5309700
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
CID 1076359
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267215
N-(2,4-Dimethoxyphenyl)-N-({N'-[(E)-(pyridin-3-YL)methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
CID 6896200
2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide
CID 122579134
2-[(4-Methoxy-benzenesulfonyl)-phenyl-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 2279207
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 1737219

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 2267231) is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is COc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is GFZPQQZGVWZUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-30-18-11-12-20(21(16-18)31-2)26(33(28,29)19-8-4-3-5-9-19)17-22(27)24-14-15-32-23-10-6-7-13-25-23/h3-13,16H,14-15,17H2,1-2H3,(H,24,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 487.60 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 2267231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).