N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H20F2N2O5S — CID 69356794

About N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 69356794) has the molecular formula C17H20F2N2O5S and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 69356794
• Molecular Formula: C17H20F2N2O5S
• Molecular Weight: 402.42 g/mol
• Exact Mass: 402.11
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C3(F)C=CS(O)(O)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C17H20F2N2O5S/c1-11(22)20-9-13-10-21(16(23)26-13)12-2-3-14(15(18)8-12)17(19)4-6-27(24,25)7-5-17/h2-4,6,8,13,24-25H,5,7,9-10H2,1H3,(H,20,22)/t13-,17?/m0/s1
• InChIKey: NXIDNLMUGVNMLX-CWQZNGJJSA-N
• XLogP: 3.12
• TPSA: 99.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.42
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 69356794) is N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3(F)C=CS(O)(O)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is NXIDNLMUGVNMLX-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H20F2N2O5S/c1-11(22)20-9-13-10-21(16(23)26-13)12-2-3-14(15(18)8-12)17(19)4-6-27(24,25)7-5-17/h2-4,6,8,13,24-25H,5,7,9-10H2,1H3,(H,20,22)/t13-,17?/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-(4-fluoro-1,1-dihydroxy-2,3-dihydrothiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 69356794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).