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

C26H27FN2O3S2 — CID 58045434

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

N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045434) has the molecular formula C26H27FN2O3S2 and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 58045434
• Molecular Formula: C26H27FN2O3S2
• Molecular Weight: 498.65 g/mol
• Exact Mass: 498.14
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CSc1ccc(CCCc2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cc2)s1
• InChI: InChI=1S/C26H27FN2O3S2/c1-17(30)28-15-21-16-29(26(31)32-21)20-10-12-23(24(27)14-20)19-8-6-18(7-9-19)4-3-5-22-11-13-25(33-2)34-22/h6-14,21H,3-5,15-16H2,1-2H3,(H,28,30)/t21-/m0/s1
• InChIKey: MYZXIRQRNGYZJP-NRFANRHFSA-N
• XLogP: 5.91
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.65
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045434) is N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CSc1ccc(CCCc2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cc2)s1.

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

The InChIKey is MYZXIRQRNGYZJP-NRFANRHFSA-N. The full InChI is InChI=1S/C26H27FN2O3S2/c1-17(30)28-15-21-16-29(26(31)32-21)20-10-12-23(24(27)14-20)19-8-6-18(7-9-19)4-3-5-22-11-13-25(33-2)34-22/h6-14,21H,3-5,15-16H2,1-2H3,(H,28,30)/t21-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 498.65 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-methylsulfanylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).