4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide

C20H21FN2O5S — CID 55841485

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide (PubChem CID 55841485) has the molecular formula C20H21FN2O5S and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
• PubChem CID: 55841485
• Molecular Formula: C20H21FN2O5S
• Molecular Weight: 420.46 g/mol
• Exact Mass: 420.12
• IUPAC Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
• SMILES: O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc(N2CCCS2(=O)=O)cc1
• InChI: InChI=1S/C20H21FN2O5S/c21-17-10-15(19-16(11-17)12-27-13-28-19)6-7-22-20(24)14-2-4-18(5-3-14)23-8-1-9-29(23,25)26/h2-5,10-11H,1,6-9,12-13H2,(H,22,24)
• InChIKey: BJZGVNYQCQTRDN-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.46
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?

The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide (CID 55841485) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide.

What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?

The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide is O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc(N2CCCS2(=O)=O)cc1.

What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?

The InChIKey is BJZGVNYQCQTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5S/c21-17-10-15(19-16(11-17)12-27-13-28-19)6-7-22-20(24)14-2-4-18(5-3-14)23-8-1-9-29(23,25)26/h2-5,10-11H,1,6-9,12-13H2,(H,22,24).

What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide has a molecular weight of 420.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide is sourced from PubChem (CID 55841485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).