3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide

C19H24N2O4S — CID 9098405

IUPAC3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H24N2O4S/c1-13-9-10-17(25-5)16(11-13)20-18(22)14-7-6-8-15(12-14)26(23,24)21-19(2,3)4/h6-12,21H,1-5H3,(H,20,22)
InChIKeyBQUXXCSWCYGXAS-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.33
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide

3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 9098405) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID9098405
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H24N2O4S/c1-13-9-10-17(25-5)16(11-13)20-18(22)14-7-6-8-15(12-14)26(23,24)21-19(2,3)4/h6-12,21H,1-5H3,(H,20,22)
InChIKeyBQUXXCSWCYGXAS-UHFFFAOYSA-N
XLogP3.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155
3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
CID 9411270
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057247
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide (CID 9098405) is 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is BQUXXCSWCYGXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-9-10-17(25-5)16(11-13)20-18(22)14-7-6-8-15(12-14)26(23,24)21-19(2,3)4/h6-12,21H,1-5H3,(H,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide?
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 9098405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).