5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide

C19H24N2O4S — CID 51166421

IUPAC5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c(O)c1
InChIInChI=1S/C19H24N2O4S/c1-12-6-9-16(17(22)10-12)20-18(23)15-11-14(8-7-13(15)2)26(24,25)21-19(3,4)5/h6-11,21-22H,1-5H3,(H,20,23)
InChIKeyHVKWUYFIKQPJNO-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.34
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide (PubChem CID 51166421) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
PubChem CID51166421
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c(O)c1
InChIInChI=1S/C19H24N2O4S/c1-12-6-9-16(17(22)10-12)20-18(23)15-11-14(8-7-13(15)2)26(24,25)21-19(3,4)5/h6-11,21-22H,1-5H3,(H,20,23)
InChIKeyHVKWUYFIKQPJNO-UHFFFAOYSA-N
XLogP3.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 55727057
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbenzamide
CID 55610005
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide (CID 51166421) is 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c(O)c1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide?
The InChIKey is HVKWUYFIKQPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12-6-9-16(17(22)10-12)20-18(23)15-11-14(8-7-13(15)2)26(24,25)21-19(3,4)5/h6-11,21-22H,1-5H3,(H,20,23).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 51166421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).