2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

C24H29N3O2S — CID 27523623

About 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 27523623) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 27523623
• Molecular Formula: C24H29N3O2S
• Molecular Weight: 423.58 g/mol
• Exact Mass: 423.20
• IUPAC Name: 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: CCCCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N/c1ccccc1
• InChI: InChI=1S/C24H29N3O2S/c1-5-6-12-27-23(29)20(30-24(27)25-19-10-8-7-9-11-19)15-21(28)26-22-17(3)13-16(2)14-18(22)4/h7-11,13-14,20H,5-6,12,15H2,1-4H3,(H,26,28)/b25-24+/t20-/m0/s1
• InChIKey: JIHNQZZPIPWWAC-VQERKYHCSA-N
• XLogP: 5.37
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.58
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 27523623) is 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is CCCCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N/c1ccccc1.

What is the InChIKey of 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is JIHNQZZPIPWWAC-VQERKYHCSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-5-6-12-27-23(29)20(30-24(27)25-19-10-8-7-9-11-19)15-21(28)26-22-17(3)13-16(2)14-18(22)4/h7-11,13-14,20H,5-6,12,15H2,1-4H3,(H,26,28)/b25-24+/t20-/m0/s1.

What are the key properties of 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 423.58 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 27523623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).