4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide

C26H22N4O5S2 — CID 132624383

About 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide (PubChem CID 132624383) has the molecular formula C26H22N4O5S2 and a molecular weight of 534.62 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
• PubChem CID: 132624383
• Molecular Formula: C26H22N4O5S2
• Molecular Weight: 534.62 g/mol
• Exact Mass: 534.10
• IUPAC Name: 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C26H22N4O5S2/c31-24-17-36-26(30(24)16-22-4-2-14-35-22)19-7-5-18(6-8-19)25(32)28-20-9-11-23(12-10-20)37(33,34)29-21-3-1-13-27-15-21/h1-15,26,29H,16-17H2,(H,28,32)
• InChIKey: LSTBZNITMMUENR-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 121.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.62
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide?

The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide (CID 132624383) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide.

What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide?

The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1.

What is the InChIKey of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide?

The InChIKey is LSTBZNITMMUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5S2/c31-24-17-36-26(30(24)16-22-4-2-14-35-22)19-7-5-18(6-8-19)25(32)28-20-9-11-23(12-10-20)37(33,34)29-21-3-1-13-27-15-21/h1-15,26,29H,16-17H2,(H,28,32).

What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide?

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide has a molecular weight of 534.62 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 132624383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).