2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

C24H23FN2O5S — CID 43907543

About 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 43907543) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
• PubChem CID: 43907543
• Molecular Formula: C24H23FN2O5S
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.13
• IUPAC Name: 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
• SMILES: COc1ccc(OCC(C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1
• InChI: InChI=1S/C24H23FN2O5S/c1-16(15-32-19-10-8-18(31-2)9-11-19)26-24(28)14-27-22-12-7-17(25)13-21(22)20-5-3-4-6-23(20)33(27,29)30/h3-13,16H,14-15H2,1-2H3,(H,26,28)
• InChIKey: AJGOVZVWRJLOSB-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?

The IUPAC name of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (CID 43907543) is 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.

What is the SMILES notation for 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?

The canonical SMILES for 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is COc1ccc(OCC(C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1.

What is the InChIKey of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?

The InChIKey is AJGOVZVWRJLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-16(15-32-19-10-8-18(31-2)9-11-19)26-24(28)14-27-22-12-7-17(25)13-21(22)20-5-3-4-6-23(20)33(27,29)30/h3-13,16H,14-15H2,1-2H3,(H,26,28).

What are the key properties of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?

2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 470.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43907543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).