N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide

C16H20N2O3S — CID 86913584

IUPACN-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C16H20N2O3S/c1-13-4-6-14(7-5-13)22(20,21)11-8-15(19)18-16(12-17)9-2-3-10-16/h4-7H,2-3,8-11H2,1H3,(H,18,19)
InChIKeyLIEIKMAKAUOSFG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.11
Rot. Bonds5

About N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 86913584) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID86913584
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C16H20N2O3S/c1-13-4-6-14(7-5-13)22(20,21)11-8-15(19)18-16(12-17)9-2-3-10-16/h4-7H,2-3,8-11H2,1H3,(H,18,19)
InChIKeyLIEIKMAKAUOSFG-UHFFFAOYSA-N
XLogP2.11
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 87017526
3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17475695
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
CID 60665986
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855794
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 120890633

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 86913584) is N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is LIEIKMAKAUOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-13-4-6-14(7-5-13)22(20,21)11-8-15(19)18-16(12-17)9-2-3-10-16/h4-7H,2-3,8-11H2,1H3,(H,18,19).
What are the key properties of N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 86913584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).