N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide

C19H23NO3S — CID 78782531

IUPACN-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-3-20(15-17-7-5-4-6-8-17)19(21)13-14-24(22,23)18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3
InChIKeyFCCSGFHAHWFUBW-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.21
Rot. Bonds7

About N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide

N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 78782531) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID78782531
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-3-20(15-17-7-5-4-6-8-17)19(21)13-14-24(22,23)18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3
InChIKeyFCCSGFHAHWFUBW-UHFFFAOYSA-N
XLogP3.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
CID 17309418
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 55303965
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342932
3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60740141
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78799694
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41116137
N-benzyl-3-[(4-methylphenyl)methylsulfonyl]-N-(thiophen-2-ylmethyl)propanamide
CID 5167232
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40781183

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide (CID 78782531) is N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide is CCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is FCCSGFHAHWFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-20(15-17-7-5-4-6-8-17)19(21)13-14-24(22,23)18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide?
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 345.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 78782531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).