4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide

C24H26N2O3S — CID 126411653

IUPAC4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1
InChIInChI=1S/C24H26N2O3S/c1-16(2)21-7-5-6-8-22(21)25-24(27)19-12-11-18(4)23(15-19)30(28,29)26-20-13-9-17(3)10-14-20/h5-16,26H,1-4H3,(H,25,27)
InChIKeyDWZSJOJUYQTXFN-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.48
Rot. Bonds6

About 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 126411653) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID126411653
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1
InChIInChI=1S/C24H26N2O3S/c1-16(2)21-7-5-6-8-22(21)25-24(27)19-12-11-18(4)23(15-19)30(28,29)26-20-13-9-17(3)10-14-20/h5-16,26H,1-4H3,(H,25,27)
InChIKeyDWZSJOJUYQTXFN-UHFFFAOYSA-N
XLogP5.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide (CID 126411653) is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is DWZSJOJUYQTXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16(2)21-7-5-6-8-22(21)25-24(27)19-12-11-18(4)23(15-19)30(28,29)26-20-13-9-17(3)10-14-20/h5-16,26H,1-4H3,(H,25,27).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 126411653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).