2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide

C18H21N3O4S — CID 10452103

IUPAC2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCCCC(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-4-17(22)21-16-10-5-12(2)11-15(16)18(23)20-13-6-8-14(9-7-13)26(19,24)25/h5-11H,3-4H2,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyKXLPOFWEYRZIAH-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.63
Rot. Bonds6

About 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide

2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 10452103) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID10452103
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCCCC(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-4-17(22)21-16-10-5-12(2)11-15(16)18(23)20-13-6-8-14(9-7-13)26(19,24)25/h5-11H,3-4H2,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyKXLPOFWEYRZIAH-UHFFFAOYSA-N
XLogP2.63
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
CID 10362460
3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide
CID 10052340
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
N-(4-fluorophenyl)-5-methyl-2-(propylamino)benzamide
CID 62510349
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
2-(butanoylamino)-N-phenylbenzamide
CID 676008
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide (CID 10452103) is 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide is CCCC(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is KXLPOFWEYRZIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-4-17(22)21-16-10-5-12(2)11-15(16)18(23)20-13-6-8-14(9-7-13)26(19,24)25/h5-11H,3-4H2,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide?
2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10452103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).