2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C22H22ClN3O4S2 — CID 2267215

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22ClN3O4S2/c1-30-20-11-10-17(23)15-19(20)26(32(28,29)18-7-3-2-4-8-18)16-21(27)24-13-14-31-22-9-5-6-12-25-22/h2-12,15H,13-14,16H2,1H3,(H,24,27)
InChIKeyUNOBPYPARGRHKO-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.85
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 2267215) has the molecular formula C22H22ClN3O4S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID2267215
Molecular FormulaC22H22ClN3O4S2
Molecular Weight492.02 g/mol
Exact Mass491.07
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22ClN3O4S2/c1-30-20-11-10-17(23)15-19(20)26(32(28,29)18-7-3-2-4-8-18)16-21(27)24-13-14-31-22-9-5-6-12-25-22/h2-12,15H,13-14,16H2,1H3,(H,24,27)
InChIKeyUNOBPYPARGRHKO-UHFFFAOYSA-N
XLogP3.85
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-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-[(4-Chloro-phenyl)-(4-methoxy-benzenesulfonyl)-amino]-N-pyridin-2-ylmethyl-acetamide
CID 1085400
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267231
2-[(2-ethoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2275984
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydrothiazole-4-carboxamide
CID 3591778
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085938
N-(5-chloro-2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2120529
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
CID 1076359
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
Cambridge id 6728534
CID 1163411

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 2267215) is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is UNOBPYPARGRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S2/c1-30-20-11-10-17(23)15-19(20)26(32(28,29)18-7-3-2-4-8-18)16-21(27)24-13-14-31-22-9-5-6-12-25-22/h2-12,15H,13-14,16H2,1H3,(H,24,27).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 492.02 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 2267215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).