N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C16H22N2O2S — CID 2639878

IUPACN-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O2S/c1-11-7-8-12(2)14(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)
InChIKeyRUNBSVCSRBAJLE-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.16
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 2639878) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID2639878
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O2S/c1-11-7-8-12(2)14(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)
InChIKeyRUNBSVCSRBAJLE-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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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616192
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
CID 47477226
N-carbamoyl-2-(2,5-dimethylphenyl)sulfanyl-3-methylbutanamide
CID 4790554
N-(cyclopentylcarbamoyl)-3-[(2,3-difluorophenyl)methylsulfanyl]propanamide
CID 40011203
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-(cyclopentylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591988

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 2639878) is N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)NC(=O)NC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is RUNBSVCSRBAJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-7-8-12(2)14(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-(2,5-dimethylphenyl)sulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-(2,5-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-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2639878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).