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

C18H22N2O3S — CID 9141287

IUPAC3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-14-5-7-15(8-6-14)9-11-18(21)20-16-10-4-13(2)17(12-16)24(19,22)23/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyWONKIWIPBWLOCN-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.78
Rot. Bonds6

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

3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 9141287) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID9141287
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-14-5-7-15(8-6-14)9-11-18(21)20-16-10-4-13(2)17(12-16)24(19,22)23/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyWONKIWIPBWLOCN-UHFFFAOYSA-N
XLogP2.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141145
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
CID 119307317
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 9141287) is 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide is CCc1ccc(CCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is WONKIWIPBWLOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-14-5-7-15(8-6-14)9-11-18(21)20-16-10-4-13(2)17(12-16)24(19,22)23/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.78, 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-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9141287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).