N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide

C18H32N2O3S — CID 113137374

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32N2O3S/c1-24(22,23)20(17-10-6-3-7-11-17)15-13-18(21)19-14-12-16-8-4-2-5-9-16/h8,17H,2-7,9-15H2,1H3,(H,19,21)
InChIKeyWCUXUCPRHVBVEY-UHFFFAOYSA-N
MW356.53 g/mol
LogP2.98
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide (PubChem CID 113137374) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
PubChem CID113137374
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32N2O3S/c1-24(22,23)20(17-10-6-3-7-11-17)15-13-18(21)19-14-12-16-8-4-2-5-9-16/h8,17H,2-7,9-15H2,1H3,(H,19,21)
InChIKeyWCUXUCPRHVBVEY-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide 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-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371917
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113144180
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
CID 113141017
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
3-(3-acetyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113145310
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide (CID 113137374) is N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCCC1=CCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
The InChIKey is WCUXUCPRHVBVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-24(22,23)20(17-10-6-3-7-11-17)15-13-18(21)19-14-12-16-8-4-2-5-9-16/h8,17H,2-7,9-15H2,1H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide has a molecular weight of 356.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).