2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide

C20H23ClN2O3S — CID 1098058

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-11-12-16(21)13-19(15)23(14-20(24)22-17-7-5-6-8-17)27(25,26)18-9-3-2-4-10-18/h2-4,9-13,17H,5-8,14H2,1H3,(H,22,24)
InChIKeyRMXBWGFLBSAPSM-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.90
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide (PubChem CID 1098058) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
PubChem CID1098058
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-11-12-16(21)13-19(15)23(14-20(24)22-17-7-5-6-8-17)27(25,26)18-9-3-2-4-10-18/h2-4,9-13,17H,5-8,14H2,1H3,(H,22,24)
InChIKeyRMXBWGFLBSAPSM-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide 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

(2R)-2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]-benzylamino]-N-cyclopentylpropanamide
CID 125056762
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1208475
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98252375
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248232
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132634801
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30207049
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045
(2S)-2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100583339
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide (CID 1098058) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide is Cc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide?
The InChIKey is RMXBWGFLBSAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-11-12-16(21)13-19(15)23(14-20(24)22-17-7-5-6-8-17)27(25,26)18-9-3-2-4-10-18/h2-4,9-13,17H,5-8,14H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide has a molecular weight of 406.94 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide is sourced from PubChem (CID 1098058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).