N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide

C15H18N2O3S — CID 64692861

IUPACN-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
SMILESN#Cc1ccccc1NC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H18N2O3S/c16-10-12-6-4-5-9-14(12)17-15(18)11-21(19,20)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,11H2,(H,17,18)
InChIKeyCHQPGADIRQLYHS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.24
Rot. Bonds4

About N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide

N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide (PubChem CID 64692861) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
PubChem CID64692861
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
SMILESN#Cc1ccccc1NC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H18N2O3S/c16-10-12-6-4-5-9-14(12)17-15(18)11-21(19,20)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,11H2,(H,17,18)
InChIKeyCHQPGADIRQLYHS-UHFFFAOYSA-N
XLogP2.24
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
CID 64696815
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
CID 60733325
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
CID 60886370

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide (CID 64692861) is N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide is N#Cc1ccccc1NC(=O)CS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide?
The InChIKey is CHQPGADIRQLYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-10-12-6-4-5-9-14(12)17-15(18)11-21(19,20)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,11H2,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide?
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide has a molecular weight of 306.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide is sourced from PubChem (CID 64692861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).