2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide

C24H20N4O4S — CID 40844848

About 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide

2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 40844848) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
• PubChem CID: 40844848
• Molecular Formula: C24H20N4O4S
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.12
• IUPAC Name: 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
• SMILES: O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C24H20N4O4S/c29-22(26-19-13-7-8-14-20(19)28(31)32)15-21-23(30)27(16-17-9-3-1-4-10-17)24(33-21)25-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,29)/b25-24-/t21-/m0/s1
• InChIKey: FPNYZWLNJWPIGP-VHAJSEAWSA-N
• XLogP: 4.76
• TPSA: 104.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide (CID 40844848) is 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide.

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

The canonical SMILES for 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1[N+](=O)[O-].

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

The InChIKey is FPNYZWLNJWPIGP-VHAJSEAWSA-N. The full InChI is InChI=1S/C24H20N4O4S/c29-22(26-19-13-7-8-14-20(19)28(31)32)15-21-23(30)27(16-17-9-3-1-4-10-17)24(33-21)25-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,29)/b25-24-/t21-/m0/s1.

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

2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 460.52 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 40844848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).