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

C24H28N4O6S — CID 3557609

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

4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3557609) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 3557609
• Molecular Formula: C24H28N4O6S
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.17
• IUPAC Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)o2)c1OC
• InChI: InChI=1S/C24H28N4O6S/c1-28(17-8-5-4-6-9-17)35(30,31)18-14-12-16(13-15-18)22(29)25-24-27-26-23(34-24)19-10-7-11-20(32-2)21(19)33-3/h7,10-15,17H,4-6,8-9H2,1-3H3,(H,25,27,29)
• InChIKey: RCUTYJVRDGWMHF-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 123.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3557609) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)o2)c1OC.

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

The InChIKey is RCUTYJVRDGWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S/c1-28(17-8-5-4-6-9-17)35(30,31)18-14-12-16(13-15-18)22(29)25-24-27-26-23(34-24)19-10-7-11-20(32-2)21(19)33-3/h7,10-15,17H,4-6,8-9H2,1-3H3,(H,25,27,29).

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

4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 500.58 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3557609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).