(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide

C20H24FN3O6S — CID 142175980

About (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide

(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide (PubChem CID 142175980) has the molecular formula C20H24FN3O6S and a molecular weight of 453.49 g/mol. Its IUPAC name is (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide
• PubChem CID: 142175980
• Molecular Formula: C20H24FN3O6S
• Molecular Weight: 453.49 g/mol
• Exact Mass: 453.14
• IUPAC Name: (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C3=CCS(=O)(=NC(=O)[C@H](C)O)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C20H24FN3O6S/c1-12(25)19(27)23-31(29)7-5-14(6-8-31)17-4-3-15(9-18(17)21)24-11-16(30-20(24)28)10-22-13(2)26/h3-5,9,12,16,25H,6-8,10-11H2,1-2H3,(H,22,26)/t12-,16-,31?/m0/s1
• InChIKey: LXQSMKSOCMNOPN-JNQZTWDXSA-N
• XLogP: 1.45
• TPSA: 125.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.49
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide?

The IUPAC name of (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide (CID 142175980) is (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide.

What is the SMILES notation for (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide?

The canonical SMILES for (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CCS(=O)(=NC(=O)[C@H](C)O)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide?

The InChIKey is LXQSMKSOCMNOPN-JNQZTWDXSA-N. The full InChI is InChI=1S/C20H24FN3O6S/c1-12(25)19(27)23-31(29)7-5-14(6-8-31)17-4-3-15(9-18(17)21)24-11-16(30-20(24)28)10-22-13(2)26/h3-5,9,12,16,25H,6-8,10-11H2,1-2H3,(H,22,26)/t12-,16-,31?/m0/s1.

What are the key properties of (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide?

(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide has a molecular weight of 453.49 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide is sourced from PubChem (CID 142175980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).