4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C23H24N4O6S — CID 40957022

About 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 40957022) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 40957022
• Molecular Formula: C23H24N4O6S
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.14
• IUPAC Name: 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)N(CC)CC)cc4)o3)oc12
• InChI: InChI=1S/C23H24N4O6S/c1-4-27(5-2)34(29,30)17-12-10-15(11-13-17)21(28)24-23-26-25-22(33-23)19-14-16-8-7-9-18(31-6-3)20(16)32-19/h7-14H,4-6H2,1-3H3,(H,24,26,28)
• InChIKey: JDBMTCHKYATUEY-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 127.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 40957022) is 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)N(CC)CC)cc4)o3)oc12.

What is the InChIKey of 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is JDBMTCHKYATUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-4-27(5-2)34(29,30)17-12-10-15(11-13-17)21(28)24-23-26-25-22(33-23)19-14-16-8-7-9-18(31-6-3)20(16)32-19/h7-14H,4-6H2,1-3H3,(H,24,26,28).

What are the key properties of 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 484.53 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 40957022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).