N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide

C11H16N2O3S — CID 167944439

IUPACN-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
SMILESCc1ccc(NC(=O)CCS(N)(=O)=O)c(C)c1
InChIInChI=1S/C11H16N2O3S/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-17(12,15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyZWAHXQXXVWKKBP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.92
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide

N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide (PubChem CID 167944439) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
PubChem CID167944439
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
SMILESCc1ccc(NC(=O)CCS(N)(=O)=O)c(C)c1
InChIInChI=1S/C11H16N2O3S/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-17(12,15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyZWAHXQXXVWKKBP-UHFFFAOYSA-N
XLogP0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide
CID 99990198
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide (CID 167944439) is N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide is Cc1ccc(NC(=O)CCS(N)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide?
The InChIKey is ZWAHXQXXVWKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-17(12,15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide?
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide is sourced from PubChem (CID 167944439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).