3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one

C20H23FN2O5S — CID 162437576

About 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one

3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one (PubChem CID 162437576) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one
• PubChem CID: 162437576
• Molecular Formula: C20H23FN2O5S
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.13
• IUPAC Name: 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one
• SMILES: COCC(CO)Sn1cccc(N2CC(c3ccc(OC)cc3F)CC2=O)c1=O
• InChI: InChI=1S/C20H23FN2O5S/c1-27-12-15(11-24)29-23-7-3-4-18(20(23)26)22-10-13(8-19(22)25)16-6-5-14(28-2)9-17(16)21/h3-7,9,13,15,24H,8,10-12H2,1-2H3
• InChIKey: XYDXBJIURGELCP-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 81.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one?

The IUPAC name of 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one (CID 162437576) is 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one.

What is the SMILES notation for 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one?

The canonical SMILES for 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one is COCC(CO)Sn1cccc(N2CC(c3ccc(OC)cc3F)CC2=O)c1=O.

What is the InChIKey of 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one?

The InChIKey is XYDXBJIURGELCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-27-12-15(11-24)29-23-7-3-4-18(20(23)26)22-10-13(8-19(22)25)16-6-5-14(28-2)9-17(16)21/h3-7,9,13,15,24H,8,10-12H2,1-2H3.

What are the key properties of 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one?

3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one has a molecular weight of 422.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one is sourced from PubChem (CID 162437576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).