2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide

C17H26N2OS — CID 79130628

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1cccc(C)c1N)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c1-3-19(14-9-5-4-6-10-14)16(20)12-21-15-11-7-8-13(2)17(15)18/h7-8,11,14H,3-6,9-10,12,18H2,1-2H3
InChIKeyPZCMBGNFMGRYLH-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide

2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide (PubChem CID 79130628) 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-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
PubChem CID79130628
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1cccc(C)c1N)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c1-3-19(14-9-5-4-6-10-14)16(20)12-21-15-11-7-8-13(2)17(15)18/h7-8,11,14H,3-6,9-10,12,18H2,1-2H3
InChIKeyPZCMBGNFMGRYLH-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.85
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-cyclohexyl-N-ethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide (CID 79130628) is 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CSc1cccc(C)c1N)C1CCCCC1.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
The InChIKey is PZCMBGNFMGRYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-19(14-9-5-4-6-10-14)16(20)12-21-15-11-7-8-13(2)17(15)18/h7-8,11,14H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide has a molecular weight of 306.47 g/mol, XLogP of 3.85, 5 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-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 79130628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).