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

C21H32N2O3S — CID 113137618

IUPAC3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(CCC1=CCCCC1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C21H32N2O3S/c1-4-23(20-12-8-9-18(2)17-20)21(24)14-16-22(27(3,25)26)15-13-19-10-6-5-7-11-19/h8-10,12,17H,4-7,11,13-16H2,1-3H3
InChIKeyYDZYCHWIAXVYGM-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.89
Rot. Bonds9

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

3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113137618) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113137618
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(CCC1=CCCCC1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C21H32N2O3S/c1-4-23(20-12-8-9-18(2)17-20)21(24)14-16-22(27(3,25)26)15-13-19-10-6-5-7-11-19/h8-10,12,17H,4-7,11,13-16H2,1-3H3
InChIKeyYDZYCHWIAXVYGM-UHFFFAOYSA-N
XLogP3.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.89
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-phenylpropanamide
CID 113137588
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137357
N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113138161
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide (CID 113137618) is 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(CCC1=CCCCC1)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is YDZYCHWIAXVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-4-23(20-12-8-9-18(2)17-20)21(24)14-16-22(27(3,25)26)15-13-19-10-6-5-7-11-19/h8-10,12,17H,4-7,11,13-16H2,1-3H3.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide?
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 392.57 g/mol, XLogP of 3.89, 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-(3-methylphenyl)propanamide is sourced from PubChem (CID 113137618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).