N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide

C16H21N3O3S — CID 87017525

IUPACN-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(C#N)CCCC2)c1
InChIInChI=1S/C16H21N3O3S/c1-3-18-23(21,22)13-7-6-12(2)14(10-13)15(20)19-16(11-17)8-4-5-9-16/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyHHZGELNSTVAKAC-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.86
Rot. Bonds5

About N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide

N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 87017525) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID87017525
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(C#N)CCCC2)c1
InChIInChI=1S/C16H21N3O3S/c1-3-18-23(21,22)13-7-6-12(2)14(10-13)15(20)19-16(11-17)8-4-5-9-16/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyHHZGELNSTVAKAC-UHFFFAOYSA-N
XLogP1.86
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120889315
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46448735

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide (CID 87017525) is N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(C#N)CCCC2)c1.
What is the InChIKey of N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is HHZGELNSTVAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-18-23(21,22)13-7-6-12(2)14(10-13)15(20)19-16(11-17)8-4-5-9-16/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide?
N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 335.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 87017525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).