N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide

C18H25NOS — CID 2947047

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NOS/c1-14-8-10-17(11-9-14)21-15(2)18(20)19-13-12-16-6-4-3-5-7-16/h6,8-11,15H,3-5,7,12-13H2,1-2H3,(H,19,20)
InChIKeyRBJRICLDMYBHAC-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2947047) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2947047
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NOS/c1-14-8-10-17(11-9-14)21-15(2)18(20)19-13-12-16-6-4-3-5-7-16/h6,8-11,15H,3-5,7,12-13H2,1-2H3,(H,19,20)
InChIKeyRBJRICLDMYBHAC-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide 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

(1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]cyclohexane-1-carboxamide
CID 10214815
(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
6-Phenylthiomorpholin-3-one
CID 20242416
N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
(1R,2S)-N-(cyanomethyl)-2-[(Z)-2-[4-(methylsulfanyl)phenyl]ethenyl]cyclohexane-1-carboxamide
CID 11631049
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 2947047) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is RBJRICLDMYBHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-14-8-10-17(11-9-14)21-15(2)18(20)19-13-12-16-6-4-3-5-7-16/h6,8-11,15H,3-5,7,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 303.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2947047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).