2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide

C15H22N2OS — CID 43249136

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2ccccc2N)CC1
InChIInChI=1S/C15H22N2OS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyOYMAJNHHYDIMIM-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 43249136) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
PubChem CID43249136
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2ccccc2N)CC1
InChIInChI=1S/C15H22N2OS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyOYMAJNHHYDIMIM-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanyl-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-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7415761
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 16543862
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 134017008
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide (CID 43249136) is 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSc2ccccc2N)CC1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is OYMAJNHHYDIMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 43249136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).