1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C23H26N4O7S — CID 16828917

About 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 16828917) has the molecular formula C23H26N4O7S and a molecular weight of 502.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 16828917
• Molecular Formula: C23H26N4O7S
• Molecular Weight: 502.55 g/mol
• Exact Mass: 502.15
• IUPAC Name: 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• SMILES: COc1cc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc(OC)c1OC
• InChI: InChI=1S/C23H26N4O7S/c1-31-18-12-16(13-19(32-2)20(18)33-3)22-25-26-23(34-22)24-21(28)15-8-7-11-27(14-15)35(29,30)17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,7-8,11,14H2,1-3H3,(H,24,26,28)
• InChIKey: IRKZIUBXJAIKON-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 133.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.55
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 16828917) is 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is COc1cc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc(OC)c1OC.

What is the InChIKey of 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The InChIKey is IRKZIUBXJAIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O7S/c1-31-18-12-16(13-19(32-2)20(18)33-3)22-25-26-23(34-22)24-21(28)15-8-7-11-27(14-15)35(29,30)17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,7-8,11,14H2,1-3H3,(H,24,26,28).

What are the key properties of 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 16828917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).