3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

C18H22N2O3S — CID 50971111

IUPAC3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-13-9-14(2)11-16(10-13)5-8-18(21)20-12-15-3-6-17(7-4-15)24(19,22)23/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyZONCHVPERXYZEW-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.20
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 50971111) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID50971111
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-13-9-14(2)11-16(10-13)5-8-18(21)20-12-15-3-6-17(7-4-15)24(19,22)23/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyZONCHVPERXYZEW-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 50971111) is 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is Cc1cc(C)cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is ZONCHVPERXYZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-9-14(2)11-16(10-13)5-8-18(21)20-12-15-3-6-17(7-4-15)24(19,22)23/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 50971111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).