3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide

C26H30N2O3S — CID 43905793

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O3S/c1-6-23(21-12-8-17(2)9-13-21)27-26(29)22-14-11-20(5)25(16-22)32(30,31)28-24-15-18(3)7-10-19(24)4/h7-16,23,28H,6H2,1-5H3,(H,27,29)
InChIKeyVNZUFGZSIIAQET-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.60
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide (PubChem CID 43905793) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
PubChem CID43905793
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O3S/c1-6-23(21-12-8-17(2)9-13-21)27-26(29)22-14-11-20(5)25(16-22)32(30,31)28-24-15-18(3)7-10-19(24)4/h7-16,23,28H,6H2,1-5H3,(H,27,29)
InChIKeyVNZUFGZSIIAQET-UHFFFAOYSA-N
XLogP5.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
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
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylpropyl)benzamide
CID 43907762
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92674095
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92686080

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide (CID 43905793) is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
The InChIKey is VNZUFGZSIIAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-6-23(21-12-8-17(2)9-13-21)27-26(29)22-14-11-20(5)25(16-22)32(30,31)28-24-15-18(3)7-10-19(24)4/h7-16,23,28H,6H2,1-5H3,(H,27,29).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide has a molecular weight of 450.60 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 43905793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).