N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide

C15H22N2O3S2 — CID 32541665

IUPACN-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCSC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S2/c1-22(19,20)17-13-6-4-5-12(11-13)15(18)16-9-10-21-14-7-2-3-8-14/h4-6,11,14,17H,2-3,7-10H2,1H3,(H,16,18)
InChIKeyWRUNOFKJATUIRB-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.46
Rot. Bonds7

About N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide

N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide (PubChem CID 32541665) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
PubChem CID32541665
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCSC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S2/c1-22(19,20)17-13-6-4-5-12(11-13)15(18)16-9-10-21-14-7-2-3-8-14/h4-6,11,14,17H,2-3,7-10H2,1H3,(H,16,18)
InChIKeyWRUNOFKJATUIRB-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide 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

4-chloro-N-(2-cyclopentylsulfanylethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 100578773
N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
CID 94101566
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3920439
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
N-(2-cyclopentylsulfanylethyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 100750646
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
N-(2-cyclohexylsulfanylethyl)-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4686670
N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
CID 92682584
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide (CID 32541665) is N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCCSC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide?
The InChIKey is WRUNOFKJATUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-22(19,20)17-13-6-4-5-12(11-13)15(18)16-9-10-21-14-7-2-3-8-14/h4-6,11,14,17H,2-3,7-10H2,1H3,(H,16,18).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide?
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide has a molecular weight of 342.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 32541665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).