4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide

C25H28N2O3S — CID 30400896

IUPAC4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O3S/c1-5-22(20-13-10-17(2)11-14-20)26-25(28)21-15-12-19(4)24(16-21)31(29,30)27-23-9-7-6-8-18(23)3/h6-16,22,27H,5H2,1-4H3,(H,26,28)/t22-/m1/s1
InChIKeyPVDBDFNKVHUYDB-JOCHJYFZSA-N
MW436.58 g/mol
LogP5.29
Rot. Bonds7

About 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide

4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 30400896) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID30400896
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O3S/c1-5-22(20-13-10-17(2)11-14-20)26-25(28)21-15-12-19(4)24(16-21)31(29,30)27-23-9-7-6-8-18(23)3/h6-16,22,27H,5H2,1-4H3,(H,26,28)/t22-/m1/s1
InChIKeyPVDBDFNKVHUYDB-JOCHJYFZSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
CID 43907762
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 99949025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 132612837
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 99954512
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132613677
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 30400896) is 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is PVDBDFNKVHUYDB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-5-22(20-13-10-17(2)11-14-20)26-25(28)21-15-12-19(4)24(16-21)31(29,30)27-23-9-7-6-8-18(23)3/h6-16,22,27H,5H2,1-4H3,(H,26,28)/t22-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30400896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).