N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C24H21IN2O2S — CID 126118506

About N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 126118506) has the molecular formula C24H21IN2O2S and a molecular weight of 528.42 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
• PubChem CID: 126118506
• Molecular Formula: C24H21IN2O2S
• Molecular Weight: 528.42 g/mol
• Exact Mass: 528.04
• IUPAC Name: N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
• SMILES: O=C(Nc1ccc(I)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1
• InChI: InChI=1S/C24H21IN2O2S/c25-20-10-12-21(13-11-20)26-23(29)18-6-8-19(9-7-18)24-27(22(28)16-30-24)15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,26,29)/t24-/m1/s1
• InChIKey: BGGYOXCLQCDDBC-XMMPIXPASA-N
• XLogP: 5.36
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.42
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 126118506) is N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

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

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

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

The InChIKey is BGGYOXCLQCDDBC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21IN2O2S/c25-20-10-12-21(13-11-20)26-23(29)18-6-8-19(9-7-18)24-27(22(28)16-30-24)15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,26,29)/t24-/m1/s1.

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

N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 528.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 126118506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).