N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide

C15H22N2O3S — CID 110345713

IUPACN-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCS(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S/c1-12-5-4-6-13(11-12)15(18)16-9-10-21(19,20)17-14-7-2-3-8-14/h4-6,11,14,17H,2-3,7-10H2,1H3,(H,16,18)
InChIKeyYRBUFCNDGKUGCJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide

N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide (PubChem CID 110345713) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
PubChem CID110345713
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCS(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S/c1-12-5-4-6-13(11-12)15(18)16-9-10-21(19,20)17-14-7-2-3-8-14/h4-6,11,14,17H,2-3,7-10H2,1H3,(H,16,18)
InChIKeyYRBUFCNDGKUGCJ-UHFFFAOYSA-N
XLogP1.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423397
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide (CID 110345713) is N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCS(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide?
The InChIKey is YRBUFCNDGKUGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-5-4-6-13(11-12)15(18)16-9-10-21(19,20)17-14-7-2-3-8-14/h4-6,11,14,17H,2-3,7-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide?
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 110345713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).