2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C20H19FN2O6S2 — CID 2068282

About 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 2068282) has the molecular formula C20H19FN2O6S2 and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 2068282
• Molecular Formula: C20H19FN2O6S2
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.07
• IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
• SMILES: O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1
• InChI: InChI=1S/C20H19FN2O6S2/c21-13-5-7-15(8-6-13)31(25,26)19-20(29-18(23-19)16-4-2-10-28-16)30-12-17(24)22-11-14-3-1-9-27-14/h2,4-8,10,14H,1,3,9,11-12H2,(H,22,24)/t14-/m0/s1
• InChIKey: GERYPDLJHCJOSG-AWEZNQCLSA-N
• XLogP: 3.29
• TPSA: 111.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

The IUPAC name of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 2068282) is 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

What is the SMILES notation for 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

The canonical SMILES for 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1.

What is the InChIKey of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

The InChIKey is GERYPDLJHCJOSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN2O6S2/c21-13-5-7-15(8-6-13)31(25,26)19-20(29-18(23-19)16-4-2-10-28-16)30-12-17(24)22-11-14-3-1-9-27-14/h2,4-8,10,14H,1,3,9,11-12H2,(H,22,24)/t14-/m0/s1.

What are the key properties of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 2068282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).