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

C29H26N4O4S2 — CID 43905770

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

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide (PubChem CID 43905770) has the molecular formula C29H26N4O4S2 and a molecular weight of 558.69 g/mol. Its IUPAC name is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
• PubChem CID: 43905770
• Molecular Formula: C29H26N4O4S2
• Molecular Weight: 558.69 g/mol
• Exact Mass: 558.14
• IUPAC Name: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
• InChI: InChI=1S/C29H26N4O4S2/c34-27-20-38-29(33(27)18-16-21-5-2-1-3-6-21)23-10-8-22(9-11-23)28(35)31-24-12-14-26(15-13-24)39(36,37)32-25-7-4-17-30-19-25/h1-15,17,19,29,32H,16,18,20H2,(H,31,35)
• InChIKey: NYNXPSXPLQPHDZ-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.69
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide (CID 43905770) is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide.

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

The canonical SMILES for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.

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

The InChIKey is NYNXPSXPLQPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4S2/c34-27-20-38-29(33(27)18-16-21-5-2-1-3-6-21)23-10-8-22(9-11-23)28(35)31-24-12-14-26(15-13-24)39(36,37)32-25-7-4-17-30-19-25/h1-15,17,19,29,32H,16,18,20H2,(H,31,35).

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

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide has a molecular weight of 558.69 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43905770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).