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

C25H24FN3O5S — CID 58045555

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

N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045555) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 58045555
• Molecular Formula: C25H24FN3O5S
• Molecular Weight: 497.55 g/mol
• Exact Mass: 497.14
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(S(=O)(=O)CCc4ccncc4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H24FN3O5S/c1-17(30)28-15-21-16-29(25(31)34-21)20-4-7-23(24(26)14-20)19-2-5-22(6-3-19)35(32,33)13-10-18-8-11-27-12-9-18/h2-9,11-12,14,21H,10,13,15-16H2,1H3,(H,28,30)/t21-/m0/s1
• InChIKey: TXKZIFGRQHSHIO-NRFANRHFSA-N
• XLogP: 3.37
• TPSA: 105.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.55
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045555) is N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(S(=O)(=O)CCc4ccncc4)cc3)c(F)c2)C(=O)O1.

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

The InChIKey is TXKZIFGRQHSHIO-NRFANRHFSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-17(30)28-15-21-16-29(25(31)34-21)20-4-7-23(24(26)14-20)19-2-5-22(6-3-19)35(32,33)13-10-18-8-11-27-12-9-18/h2-9,11-12,14,21H,10,13,15-16H2,1H3,(H,28,30)/t21-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 497.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).