N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C23H22N4O6S — CID 40957878

About N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 40957878) has the molecular formula C23H22N4O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
• PubChem CID: 40957878
• Molecular Formula: C23H22N4O6S
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.13
• IUPAC Name: N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cc5ccccc5o4)o3)CC2)cc1
• InChI: InChI=1S/C23H22N4O6S/c1-31-17-6-8-18(9-7-17)34(29,30)27-12-10-15(11-13-27)21(28)24-23-26-25-22(33-23)20-14-16-4-2-3-5-19(16)32-20/h2-9,14-15H,10-13H2,1H3,(H,24,26,28)
• InChIKey: SVYYKILNJZQYSK-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 127.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 40957878) is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cc5ccccc5o4)o3)CC2)cc1.

What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?

The InChIKey is SVYYKILNJZQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6S/c1-31-17-6-8-18(9-7-17)34(29,30)27-12-10-15(11-13-27)21(28)24-23-26-25-22(33-23)20-14-16-4-2-3-5-19(16)32-20/h2-9,14-15H,10-13H2,1H3,(H,24,26,28).

What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 40957878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).