2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C32H29N3O3S — CID 40736665

About 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 40736665) has the molecular formula C32H29N3O3S and a molecular weight of 535.67 g/mol. Its IUPAC name is 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

• Compound Name: 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
• PubChem CID: 40736665
• Molecular Formula: C32H29N3O3S
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.19
• IUPAC Name: 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
• SMILES: C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1
• InChI: InChI=1S/C32H29N3O3S/c1-22(24-12-6-3-7-13-24)33-31(38)27-14-8-9-15-28(27)34-30(37)25-16-18-26(19-17-25)32-35(29(36)21-39-32)20-23-10-4-2-5-11-23/h2-19,22,32H,20-21H2,1H3,(H,33,38)(H,34,37)/t22-,32+/m0/s1
• InChIKey: RZGTUTOKHWDILW-GHRAFVERSA-N
• XLogP: 6.20
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 40736665) is 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

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

The canonical SMILES for 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1.

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

The InChIKey is RZGTUTOKHWDILW-GHRAFVERSA-N. The full InChI is InChI=1S/C32H29N3O3S/c1-22(24-12-6-3-7-13-24)33-31(38)27-14-8-9-15-28(27)34-30(37)25-16-18-26(19-17-25)32-35(29(36)21-39-32)20-23-10-4-2-5-11-23/h2-19,22,32H,20-21H2,1H3,(H,33,38)(H,34,37)/t22-,32+/m0/s1.

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

2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 535.67 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 40736665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).