2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide

C17H26N2OS — CID 79130662

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1cccc(SCC(=O)N(C)C2CCC(C)CC2)c1N
InChIInChI=1S/C17H26N2OS/c1-12-7-9-14(10-8-12)19(3)16(20)11-21-15-6-4-5-13(2)17(15)18/h4-6,12,14H,7-11,18H2,1-3H3
InChIKeyWRPDAWNKQXEMBH-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide

2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 79130662) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID79130662
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1cccc(SCC(=O)N(C)C2CCC(C)CC2)c1N
InChIInChI=1S/C17H26N2OS/c1-12-7-9-14(10-8-12)19(3)16(20)11-21-15-6-4-5-13(2)17(15)18/h4-6,12,14H,7-11,18H2,1-3H3
InChIKeyWRPDAWNKQXEMBH-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)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

2-(2-amino-3-methylphenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 79147428
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79128124
2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 79130628
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 43028515
5-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942579
N-methyl-N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 39952566
2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656471
tert-butyl 2-(2-amino-3-methylphenyl)sulfanylacetate
CID 79147155
2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 8521867

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 79130662) is 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide is Cc1cccc(SCC(=O)N(C)C2CCC(C)CC2)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is WRPDAWNKQXEMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-7-9-14(10-8-12)19(3)16(20)11-21-15-6-4-5-13(2)17(15)18/h4-6,12,14H,7-11,18H2,1-3H3.
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 306.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 79130662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).