2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide

C17H19N3O4S — CID 55846368

IUPAC2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-16(21)19-12-5-7-13(8-6-12)20-17(22)15-10-14(25(18,23)24)9-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyQBWPJRYKOPMSKP-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide

2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide (PubChem CID 55846368) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
PubChem CID55846368
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-16(21)19-12-5-7-13(8-6-12)20-17(22)15-10-14(25(18,23)24)9-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyQBWPJRYKOPMSKP-UHFFFAOYSA-N
XLogP2.24
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
CID 10362460
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
CID 49424419
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide
CID 55599362
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
CID 31265617
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide (CID 55846368) is 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide is CCC(=O)Nc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide?
The InChIKey is QBWPJRYKOPMSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-16(21)19-12-5-7-13(8-6-12)20-17(22)15-10-14(25(18,23)24)9-4-11(15)2/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide?
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 55846368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).