1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H25N5O4S2 — CID 53042476

About 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 53042476) has the molecular formula C22H25N5O4S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 53042476
• Molecular Formula: C22H25N5O4S2
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.13
• IUPAC Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccnc1NC(=O)C1CCCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)C1
• InChI: InChI=1S/C22H25N5O4S2/c1-13-5-3-9-23-19(13)24-21(28)16-6-4-10-27(12-16)33(29,30)18-11-17(32-14(18)2)20-25-22(31-26-20)15-7-8-15/h3,5,9,11,15-16H,4,6-8,10,12H2,1-2H3,(H,23,24,28)
• InChIKey: YJRDOXGVDZMDJM-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 53042476) is 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)C1.

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

The InChIKey is YJRDOXGVDZMDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S2/c1-13-5-3-9-23-19(13)24-21(28)16-6-4-10-27(12-16)33(29,30)18-11-17(32-14(18)2)20-25-22(31-26-20)15-7-8-15/h3,5,9,11,15-16H,4,6-8,10,12H2,1-2H3,(H,23,24,28).

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

1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 53042476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).