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

C19H18ClFN4O4S2 — CID 16917653

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide (PubChem CID 16917653) has the molecular formula C19H18ClFN4O4S2 and a molecular weight of 484.96 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
• PubChem CID: 16917653
• Molecular Formula: C19H18ClFN4O4S2
• Molecular Weight: 484.96 g/mol
• Exact Mass: 484.04
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
• SMILES: O=C(Nc1nnc(Cc2ccc(F)cc2)o1)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C19H18ClFN4O4S2/c20-15-8-9-17(30-15)31(27,28)25-10-2-1-3-14(25)18(26)22-19-24-23-16(29-19)11-12-4-6-13(21)7-5-12/h4-9,14H,1-3,10-11H2,(H,22,24,26)
• InChIKey: VRNIHZCOFKIDIQ-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.96
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide (CID 16917653) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide is O=C(Nc1nnc(Cc2ccc(F)cc2)o1)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1.

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

The InChIKey is VRNIHZCOFKIDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O4S2/c20-15-8-9-17(30-15)31(27,28)25-10-2-1-3-14(25)18(26)22-19-24-23-16(29-19)11-12-4-6-13(21)7-5-12/h4-9,14H,1-3,10-11H2,(H,22,24,26).

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 484.96 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 16917653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).