2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

C26H29ClN2O4S — CID 30200922

IUPAC2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H29ClN2O4S/c1-2-18-33-25-16-7-6-10-21(25)11-9-17-28-26(30)20-29(23-13-8-12-22(27)19-23)34(31,32)24-14-4-3-5-15-24/h3-8,10,12-16,19H,2,9,11,17-18,20H2,1H3,(H,28,30)
InChIKeyWXHUVVWLLFWJQK-UHFFFAOYSA-N
MW501.05 g/mol
LogP5.07
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (PubChem CID 30200922) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
PubChem CID30200922
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H29ClN2O4S/c1-2-18-33-25-16-7-6-10-21(25)11-9-17-28-26(30)20-29(23-13-8-12-22(27)19-23)34(31,32)24-14-4-3-5-15-24/h3-8,10,12-16,19H,2,9,11,17-18,20H2,1H3,(H,28,30)
InChIKeyWXHUVVWLLFWJQK-UHFFFAOYSA-N
XLogP5.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.05
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]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-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 43893372
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30203079
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30209081
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244115
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 126134625
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30220604

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (CID 30200922) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is CCCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The InChIKey is WXHUVVWLLFWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c1-2-18-33-25-16-7-6-10-21(25)11-9-17-28-26(30)20-29(23-13-8-12-22(27)19-23)34(31,32)24-14-4-3-5-15-24/h3-8,10,12-16,19H,2,9,11,17-18,20H2,1H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide has a molecular weight of 501.05 g/mol, XLogP of 5.07, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30200922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).