N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C16H22N2O2S — CID 2616369

IUPACN-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-11-7-8-14(12(2)9-11)21-10-15(19)18-16(20)17-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H2,17,18,19,20)
InChIKeySLIDJCWODWZMCN-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.16
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2616369) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID2616369
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-11-7-8-14(12(2)9-11)21-10-15(19)18-16(20)17-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H2,17,18,19,20)
InChIKeySLIDJCWODWZMCN-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 2616369) is N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC(=O)NC2CCCC2)c(C)c1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is SLIDJCWODWZMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-7-8-14(12(2)9-11)21-10-15(19)18-16(20)17-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 306.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2616369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).