3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide

C18H22N2O3S — CID 17226000

IUPAC3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H22N2O3S/c1-3-20(16-9-7-8-15(2)14-16)18(21)12-13-19-24(22,23)17-10-5-4-6-11-17/h4-11,14,19H,3,12-13H2,1-2H3
InChIKeyJZVZRGOWNHANPM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.72
Rot. Bonds7

About 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide

3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 17226000) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID17226000
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H22N2O3S/c1-3-20(16-9-7-8-15(2)14-16)18(21)12-13-19-24(22,23)17-10-5-4-6-11-17/h4-11,14,19H,3,12-13H2,1-2H3
InChIKeyJZVZRGOWNHANPM-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061417
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
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-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 109061323
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide (CID 17226000) is 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(C)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is JZVZRGOWNHANPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-20(16-9-7-8-15(2)14-16)18(21)12-13-19-24(22,23)17-10-5-4-6-11-17/h4-11,14,19H,3,12-13H2,1-2H3.
What are the key properties of 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 17226000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).