N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide

C18H24N2OS — CID 7458761

IUPACN-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide
SMILESCc1ccc(SCC(=O)N(C)C2(C#N)CCCCC2)c(C)c1
InChIInChI=1S/C18H24N2OS/c1-14-7-8-16(15(2)11-14)22-12-17(21)20(3)18(13-19)9-5-4-6-10-18/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyOWGXFFYTZSQSTA-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.08
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide

N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide (PubChem CID 7458761) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide
PubChem CID7458761
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide
SMILESCc1ccc(SCC(=O)N(C)C2(C#N)CCCCC2)c(C)c1
InChIInChI=1S/C18H24N2OS/c1-14-7-8-16(15(2)11-14)22-12-17(21)20(3)18(13-19)9-5-4-6-10-18/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyOWGXFFYTZSQSTA-UHFFFAOYSA-N
XLogP4.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide (CID 7458761) is N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide is Cc1ccc(SCC(=O)N(C)C2(C#N)CCCCC2)c(C)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide?
The InChIKey is OWGXFFYTZSQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-14-7-8-16(15(2)11-14)22-12-17(21)20(3)18(13-19)9-5-4-6-10-18/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide has a molecular weight of 316.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 7458761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).