2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

C18H18FN3O4S2 — CID 97427041

About 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 97427041) has the molecular formula C18H18FN3O4S2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
• PubChem CID: 97427041
• Molecular Formula: C18H18FN3O4S2
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.07
• IUPAC Name: 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
• SMILES: COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1
• InChI: InChI=1S/C18H18FN3O4S2/c1-25-15-5-4-14(19)9-16(15)28(23,24)22-7-2-3-12(10-22)17-20-21-18(26-17)13-6-8-27-11-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m1/s1
• InChIKey: SVLDXUBKPGSBLR-GFCCVEGCSA-N
• XLogP: 3.51
• TPSA: 85.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 97427041) is 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1.

What is the InChIKey of 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?

The InChIKey is SVLDXUBKPGSBLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18FN3O4S2/c1-25-15-5-4-14(19)9-16(15)28(23,24)22-7-2-3-12(10-22)17-20-21-18(26-17)13-6-8-27-11-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m1/s1.

What are the key properties of 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?

2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 423.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 97427041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).