1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C25H30N4O4S — CID 50808353

About 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 50808353) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
• PubChem CID: 50808353
• Molecular Formula: C25H30N4O4S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.20
• IUPAC Name: 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
• SMILES: Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1
• InChI: InChI=1S/C25H30N4O4S/c1-16(2)19-9-11-22(12-10-19)27-25(30)21-6-5-13-29(15-21)34(31,32)23-14-20(8-7-17(23)3)24-26-18(4)33-28-24/h7-12,14,16,21H,5-6,13,15H2,1-4H3,(H,27,30)
• InChIKey: MZZYIAIAZJBMJQ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 50808353) is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1.

What is the InChIKey of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The InChIKey is MZZYIAIAZJBMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-16(2)19-9-11-22(12-10-19)27-25(30)21-6-5-13-29(15-21)34(31,32)23-14-20(8-7-17(23)3)24-26-18(4)33-28-24/h7-12,14,16,21H,5-6,13,15H2,1-4H3,(H,27,30).

What are the key properties of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50808353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).