2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

C22H17FN4O2S — CID 90562554

About 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 90562554) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
• PubChem CID: 90562554
• Molecular Formula: C22H17FN4O2S
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.11
• IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
• SMILES: O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1
• InChI: InChI=1S/C22H17FN4O2S/c23-17-7-9-18(10-8-17)30-14-20(28)25-19-6-2-1-4-15(19)12-21-26-22(27-29-21)16-5-3-11-24-13-16/h1-11,13H,12,14H2,(H,25,28)
• InChIKey: PKYTTWOJDWZHKC-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 90562554) is 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1.

What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

The InChIKey is PKYTTWOJDWZHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-17-7-9-18(10-8-17)30-14-20(28)25-19-6-2-1-4-15(19)12-21-26-22(27-29-21)16-5-3-11-24-13-16/h1-11,13H,12,14H2,(H,25,28).

What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 90562554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).