3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide

C24H26N2O3S — CID 60593033

IUPAC3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-17(2)21-11-7-8-12-22(21)26-24(27)20-14-13-18(3)23(15-20)30(28,29)25-16-19-9-5-4-6-10-19/h4-15,17,25H,16H2,1-3H3,(H,26,27)
InChIKeyHSDYLEHZFSXKJN-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.85
Rot. Bonds7

About 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide

3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 60593033) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
PubChem CID60593033
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-17(2)21-11-7-8-12-22(21)26-24(27)20-14-13-18(3)23(15-20)30(28,29)25-16-19-9-5-4-6-10-19/h4-15,17,25H,16H2,1-3H3,(H,26,27)
InChIKeyHSDYLEHZFSXKJN-UHFFFAOYSA-N
XLogP4.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617491
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 6462073
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 119615533

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide (CID 60593033) is 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is HSDYLEHZFSXKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17(2)21-11-7-8-12-22(21)26-24(27)20-14-13-18(3)23(15-20)30(28,29)25-16-19-9-5-4-6-10-19/h4-15,17,25H,16H2,1-3H3,(H,26,27).
What are the key properties of 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 60593033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).