2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide

C18H26N2O2S — CID 8705745

IUPAC2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSC2CCCCC2)c1C
InChIInChI=1S/C18H26N2O2S/c1-13-7-6-10-16(14(13)2)20-17(21)11-19-18(22)12-23-15-8-4-3-5-9-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJSJGKOKLSVNRNS-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.42
Rot. Bonds6

About 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 8705745) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID8705745
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSC2CCCCC2)c1C
InChIInChI=1S/C18H26N2O2S/c1-13-7-6-10-16(14(13)2)20-17(21)11-19-18(22)12-23-15-8-4-3-5-9-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJSJGKOKLSVNRNS-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 11940393
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 4782629
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 8705745) is 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)CSC2CCCCC2)c1C.
What is the InChIKey of 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is JSJGKOKLSVNRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13-7-6-10-16(14(13)2)20-17(21)11-19-18(22)12-23-15-8-4-3-5-9-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 334.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 8705745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).