3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C27H26N4O3S — CID 55885038

About 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 55885038) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• PubChem CID: 55885038
• Molecular Formula: C27H26N4O3S
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.17
• IUPAC Name: 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• SMILES: CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1
• InChI: InChI=1S/C27H26N4O3S/c1-30(23-12-3-2-4-13-23)35(33,34)24-14-8-10-21(18-24)27(32)28-22-11-7-9-20(17-22)25-19-31-16-6-5-15-26(31)29-25/h2-4,7-14,17-19H,5-6,15-16H2,1H3,(H,28,32)
• InChIKey: OGLJKQGWXNSGRM-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 55885038) is 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1.

What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The InChIKey is OGLJKQGWXNSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-30(23-12-3-2-4-13-23)35(33,34)24-14-8-10-21(18-24)27(32)28-22-11-7-9-20(17-22)25-19-31-16-6-5-15-26(31)29-25/h2-4,7-14,17-19H,5-6,15-16H2,1H3,(H,28,32).

What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 486.60 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 55885038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).