3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide

C17H20N2O3S — CID 9403583

IUPAC3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-13-6-8-14(9-7-13)10-11-17(20)19-15-4-3-5-16(12-15)23(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyRGDGLTDUTWZJEG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.47
Rot. Bonds6

About 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide

3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 9403583) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID9403583
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-13-6-8-14(9-7-13)10-11-17(20)19-15-4-3-5-16(12-15)23(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyRGDGLTDUTWZJEG-UHFFFAOYSA-N
XLogP2.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
CID 55612776
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141287
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
CID 55416915
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide (CID 9403583) is 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide is CCc1ccc(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is RGDGLTDUTWZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-13-6-8-14(9-7-13)10-11-17(20)19-15-4-3-5-16(12-15)23(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide?
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9403583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).