3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide

C18H28N2O3S — CID 113137357

IUPAC3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C1CCCC1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C18H28N2O3S/c1-4-19(17-11-7-8-15(2)14-17)18(21)12-13-20(24(3,22)23)16-9-5-6-10-16/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3
InChIKeyQGFFJWRLYSJVSP-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.94
Rot. Bonds7

About 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide

3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113137357) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113137357
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C1CCCC1)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C18H28N2O3S/c1-4-19(17-11-7-8-15(2)14-17)18(21)12-13-20(24(3,22)23)16-9-5-6-10-16/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3
InChIKeyQGFFJWRLYSJVSP-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
3-[cyclopentyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113137275
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
N-ethyl-N-(3-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212541
N-cyclohexyl-N'-ethyl-N-methyl-N'-(3-methylphenyl)oxamide
CID 108503849
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113146418

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (CID 113137357) is 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(C1CCCC1)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is QGFFJWRLYSJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-19(17-11-7-8-15(2)14-17)18(21)12-13-20(24(3,22)23)16-9-5-6-10-16/h7-8,11,14,16H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methylsulfonyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113137357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).