N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide

C19H22N2O4S — CID 9225118

IUPACN-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-3-20-19(23)15-5-4-6-16(13-15)21-18(22)11-12-26(24,25)17-9-7-14(2)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIZSBXJKOSDQLRI-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.55
Rot. Bonds7

About N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide

N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide (PubChem CID 9225118) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
PubChem CID9225118
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-3-20-19(23)15-5-4-6-16(13-15)21-18(22)11-12-26(24,25)17-9-7-14(2)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIZSBXJKOSDQLRI-UHFFFAOYSA-N
XLogP2.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 110294957
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-acetamido-N-ethylbenzamide
CID 17230670
[2-(3-acetylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168714
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide?
The IUPAC name of N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide (CID 9225118) is N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide?
The canonical SMILES for N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide is CCNC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide?
The InChIKey is IZSBXJKOSDQLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-20-19(23)15-5-4-6-16(13-15)21-18(22)11-12-26(24,25)17-9-7-14(2)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide?
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide is sourced from PubChem (CID 9225118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).