2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide

C24H28N4O4S — CID 55520393

About 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide

2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 55520393) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
• PubChem CID: 55520393
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
• SMILES: Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3(c4noc(C)n4)CCCCC3)c2)c1
• InChI: InChI=1S/C24H28N4O4S/c1-16-8-7-9-19(14-16)28-33(30,31)20-11-10-17(2)21(15-20)22(29)26-24(12-5-4-6-13-24)23-25-18(3)32-27-23/h7-11,14-15,28H,4-6,12-13H2,1-3H3,(H,26,29)
• InChIKey: VTQLCNWMDTXORR-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 55520393) is 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3(c4noc(C)n4)CCCCC3)c2)c1.

What is the InChIKey of 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide?

The InChIKey is VTQLCNWMDTXORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16-8-7-9-19(14-16)28-33(30,31)20-11-10-17(2)21(15-20)22(29)26-24(12-5-4-6-13-24)23-25-18(3)32-27-23/h7-11,14-15,28H,4-6,12-13H2,1-3H3,(H,26,29).

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

2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55520393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).