1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide

C23H25FN4O4S2 — CID 53042530

About 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide

1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide (PubChem CID 53042530) has the molecular formula C23H25FN4O4S2 and a molecular weight of 504.61 g/mol. Its IUPAC name is 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
• PubChem CID: 53042530
• Molecular Formula: C23H25FN4O4S2
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.13
• IUPAC Name: 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
• SMILES: Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2)C1
• InChI: InChI=1S/C23H25FN4O4S2/c1-14-20(12-19(33-14)21-26-23(32-27-21)15-5-2-6-15)34(30,31)28-10-4-7-16(13-28)22(29)25-18-9-3-8-17(24)11-18/h3,8-9,11-12,15-16H,2,4-7,10,13H2,1H3,(H,25,29)
• InChIKey: YACMMAHEDSZSID-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide (CID 53042530) is 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide is Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2)C1.

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

The InChIKey is YACMMAHEDSZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S2/c1-14-20(12-19(33-14)21-26-23(32-27-21)15-5-2-6-15)34(30,31)28-10-4-7-16(13-28)22(29)25-18-9-3-8-17(24)11-18/h3,8-9,11-12,15-16H,2,4-7,10,13H2,1H3,(H,25,29).

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

1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 53042530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).