N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide

C22H24FN3O7S — CID 166810261

About N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide

N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide (PubChem CID 166810261) has the molecular formula C22H24FN3O7S and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
• PubChem CID: 166810261
• Molecular Formula: C22H24FN3O7S
• Molecular Weight: 493.51 g/mol
• Exact Mass: 493.13
• IUPAC Name: N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
• SMILES: CCOc1nc(C(CS(C)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC
• InChI: InChI=1S/C22H24FN3O7S/c1-5-33-20-16(32-3)9-8-13(25-20)15(11-34(4)30)26-21(28)18-12(23)6-7-14(19(18)22(26)29)24-17(27)10-31-2/h6-9,15H,5,10-11H2,1-4H3,(H,24,27)
• InChIKey: DTZBAHAUMAVHNL-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 124.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.51
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?

The IUPAC name of N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide (CID 166810261) is N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide.

What is the SMILES notation for N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?

The canonical SMILES for N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide is CCOc1nc(C(CS(C)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.

What is the InChIKey of N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?

The InChIKey is DTZBAHAUMAVHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O7S/c1-5-33-20-16(32-3)9-8-13(25-20)15(11-34(4)30)26-21(28)18-12(23)6-7-14(19(18)22(26)29)24-17(27)10-31-2/h6-9,15H,5,10-11H2,1-4H3,(H,24,27).

What are the key properties of N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?

N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide has a molecular weight of 493.51 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfinylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 166810261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).