3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide

C25H28N2O3S — CID 43907762

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1
InChIInChI=1S/C25H28N2O3S/c1-5-22(20-11-7-6-8-12-20)26-25(28)21-15-14-18(3)24(16-21)31(29,30)27-23-13-9-10-17(2)19(23)4/h6-16,22,27H,5H2,1-4H3,(H,26,28)
InChIKeyOZYJRZAPMZCXQM-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.29
Rot. Bonds7

About 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide (PubChem CID 43907762) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
PubChem CID43907762
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1
InChIInChI=1S/C25H28N2O3S/c1-5-22(20-11-7-6-8-12-20)26-25(28)21-15-14-18(3)24(16-21)31(29,30)27-23-13-9-10-17(2)19(23)4/h6-16,22,27H,5H2,1-4H3,(H,26,28)
InChIKeyOZYJRZAPMZCXQM-UHFFFAOYSA-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-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
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123
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
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 30389944
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 99949025

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide (CID 43907762) is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide?
The InChIKey is OZYJRZAPMZCXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-5-22(20-11-7-6-8-12-20)26-25(28)21-15-14-18(3)24(16-21)31(29,30)27-23-13-9-10-17(2)19(23)4/h6-16,22,27H,5H2,1-4H3,(H,26,28).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)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 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 43907762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).