2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide

C24H25ClN2O4S — CID 43902119

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-22(18-10-6-4-7-11-18)26-24(28)17-27(19-14-15-23(31-2)21(25)16-19)32(29,30)20-12-8-5-9-13-20/h4-16,22H,3,17H2,1-2H3,(H,26,28)
InChIKeyHDLTWZAGGSRNRA-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.81
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide (PubChem CID 43902119) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
PubChem CID43902119
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-22(18-10-6-4-7-11-18)26-24(28)17-27(19-14-15-23(31-2)21(25)16-19)32(29,30)20-12-8-5-9-13-20/h4-16,22H,3,17H2,1-2H3,(H,26,28)
InChIKeyHDLTWZAGGSRNRA-UHFFFAOYSA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)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)-3-chloro-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902120
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 30305609
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 99130842
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2284373
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 92647383
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
CID 53279027
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28576788
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30305601
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900475
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902013

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide (CID 43902119) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide?
The InChIKey is HDLTWZAGGSRNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-3-22(18-10-6-4-7-11-18)26-24(28)17-27(19-14-15-23(31-2)21(25)16-19)32(29,30)20-12-8-5-9-13-20/h4-16,22H,3,17H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide has a molecular weight of 472.99 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 43902119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).