3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide

C20H30N2O3S — CID 113137588

IUPAC3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(CCC1=CCCCC1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H30N2O3S/c1-3-22(19-12-8-5-9-13-19)20(23)15-17-21(26(2,24)25)16-14-18-10-6-4-7-11-18/h5,8-10,12-13H,3-4,6-7,11,14-17H2,1-2H3
InChIKeyRGDSAWFLZXZCOF-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.58
Rot. Bonds9

About 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide

3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide (PubChem CID 113137588) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
PubChem CID113137588
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(CCC1=CCCCC1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H30N2O3S/c1-3-22(19-12-8-5-9-13-19)20(23)15-17-21(26(2,24)25)16-14-18-10-6-4-7-11-18/h5,8-10,12-13H,3-4,6-7,11,14-17H2,1-2H3
InChIKeyRGDSAWFLZXZCOF-UHFFFAOYSA-N
XLogP3.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113138161
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
CID 113149178
N-ethyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylacetamide
CID 113152166
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
CID 113149168
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
CID 113149130
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
CID 113149508

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide (CID 113137588) is 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(CCC1=CCCCC1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
The InChIKey is RGDSAWFLZXZCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-3-22(19-12-8-5-9-13-19)20(23)15-17-21(26(2,24)25)16-14-18-10-6-4-7-11-18/h5,8-10,12-13H,3-4,6-7,11,14-17H2,1-2H3.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide has a molecular weight of 378.54 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113137588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).