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

C30H27N3O4S2 — CID 126178762

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

4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 126178762) has the molecular formula C30H27N3O4S2 and a molecular weight of 557.70 g/mol. Its IUPAC name is 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
• PubChem CID: 126178762
• Molecular Formula: C30H27N3O4S2
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.14
• IUPAC Name: 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
• InChI: InChI=1S/C30H27N3O4S2/c34-28-21-38-30(33(28)20-19-22-7-3-1-4-8-22)24-13-11-23(12-14-24)29(35)31-25-15-17-27(18-16-25)39(36,37)32-26-9-5-2-6-10-26/h1-18,30,32H,19-21H2,(H,31,35)/t30-/m0/s1
• InChIKey: JDFJTLBCBDJEEE-PMERELPUSA-N
• XLogP: 5.56
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 126178762) is 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide.

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

The canonical SMILES for 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1.

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

The InChIKey is JDFJTLBCBDJEEE-PMERELPUSA-N. The full InChI is InChI=1S/C30H27N3O4S2/c34-28-21-38-30(33(28)20-19-22-7-3-1-4-8-22)24-13-11-23(12-14-24)29(35)31-25-15-17-27(18-16-25)39(36,37)32-26-9-5-2-6-10-26/h1-18,30,32H,19-21H2,(H,31,35)/t30-/m0/s1.

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

4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 557.70 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 126178762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).