N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide

C14H20N2O3S — CID 41466640

IUPACN-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-10-9-11(7-8-13(10)16-20(2,18)19)14(17)15-12-5-3-4-6-12/h7-9,12,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyYLFYYTOMYBBYQP-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.04
Rot. Bonds4

About N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide

N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide (PubChem CID 41466640) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
PubChem CID41466640
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-10-9-11(7-8-13(10)16-20(2,18)19)14(17)15-12-5-3-4-6-12/h7-9,12,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyYLFYYTOMYBBYQP-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide?
The IUPAC name of N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide (CID 41466640) is N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide?
The canonical SMILES for N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide?
The InChIKey is YLFYYTOMYBBYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-9-11(7-8-13(10)16-20(2,18)19)14(17)15-12-5-3-4-6-12/h7-9,12,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide?
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide is sourced from PubChem (CID 41466640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).