2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C23H23N5O3S — CID 42279085

About 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 42279085) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
• PubChem CID: 42279085
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
• SMILES: Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCc2nnc3ccccn23)c1
• InChI: InChI=1S/C23H23N5O3S/c1-16-10-11-18(32(30,31)27-20-8-4-3-7-17(20)2)15-19(16)23(29)24-13-12-22-26-25-21-9-5-6-14-28(21)22/h3-11,14-15,27H,12-13H2,1-2H3,(H,24,29)
• InChIKey: PLZWPAYMSFSRTD-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 105.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?

The IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 42279085) is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

What is the SMILES notation for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?

The canonical SMILES for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCc2nnc3ccccn23)c1.

What is the InChIKey of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?

The InChIKey is PLZWPAYMSFSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-16-10-11-18(32(30,31)27-20-8-4-3-7-17(20)2)15-19(16)23(29)24-13-12-22-26-25-21-9-5-6-14-28(21)22/h3-11,14-15,27H,12-13H2,1-2H3,(H,24,29).

What are the key properties of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 449.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 42279085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).