N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C17H22N2OS — CID 2506936

IUPACN-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2(C#N)CCCCC2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-13-6-7-15(14(2)10-13)21-11-16(20)19-17(12-18)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyYFMLANUZKAVONC-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.74
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2506936) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID2506936
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2(C#N)CCCCC2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-13-6-7-15(14(2)10-13)21-11-16(20)19-17(12-18)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyYFMLANUZKAVONC-UHFFFAOYSA-N
XLogP3.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 2506936) is N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2(C#N)CCCCC2)c(C)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is YFMLANUZKAVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-6-7-15(14(2)10-13)21-11-16(20)19-17(12-18)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 302.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2506936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).