4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H26N4O4S — CID 25328763

About 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 25328763) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 25328763
• Molecular Formula: C23H26N4O4S
• Molecular Weight: 454.55 g/mol
• Exact Mass: 454.17
• IUPAC Name: 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)cc1
• InChI: InChI=1S/C23H26N4O4S/c1-15-4-6-19(7-5-15)22-25-26-23(31-22)24-21(28)18-8-10-20(11-9-18)32(29,30)27-13-16(2)12-17(3)14-27/h4-11,16-17H,12-14H2,1-3H3,(H,24,26,28)/t16-,17+
• InChIKey: AGHNPDHPUOEXNH-CALCHBBNSA-N
• XLogP: 3.96
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.55
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 25328763) is 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)cc1.

What is the InChIKey of 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is AGHNPDHPUOEXNH-CALCHBBNSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-4-6-19(7-5-15)22-25-26-23(31-22)24-21(28)18-8-10-20(11-9-18)32(29,30)27-13-16(2)12-17(3)14-27/h4-11,16-17H,12-14H2,1-3H3,(H,24,26,28)/t16-,17+.

What are the key properties of 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 25328763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).