1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C22H26N4O4S2 — CID 53042597

About 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53042597) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 53042597
• Molecular Formula: C22H26N4O4S2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.14
• IUPAC Name: 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)cc1
• InChI: InChI=1S/C22H26N4O4S2/c1-14-4-6-17(7-5-14)13-23-22(27)18-8-10-26(11-9-18)32(28,29)20-12-19(31-15(20)2)21-24-16(3)30-25-21/h4-7,12,18H,8-11,13H2,1-3H3,(H,23,27)
• InChIKey: HBHHCDCNPYHSGJ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 53042597) is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)cc1.

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

The InChIKey is HBHHCDCNPYHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-14-4-6-17(7-5-14)13-23-22(27)18-8-10-26(11-9-18)32(28,29)20-12-19(31-15(20)2)21-24-16(3)30-25-21/h4-7,12,18H,8-11,13H2,1-3H3,(H,23,27).

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

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53042597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).