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

C24H23N3O2S — CID 7974054

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

N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 7974054) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 7974054
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
• SMILES: CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\c1ccccc1
• InChI: InChI=1S/C24H23N3O2S/c1-2-14-27-23(29)21(30-24(27)26-19-10-4-3-5-11-19)16-22(28)25-20-13-12-17-8-6-7-9-18(17)15-20/h3-13,15,21H,2,14,16H2,1H3,(H,25,28)/b26-24-/t21-/m0/s1
• InChIKey: MRVVCHJSZIBCSM-TYGLDRHGSA-N
• XLogP: 5.21
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	5.21
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 N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide (CID 7974054) is N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide.

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

The canonical SMILES for N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide is CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\c1ccccc1.

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

The InChIKey is MRVVCHJSZIBCSM-TYGLDRHGSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-2-14-27-23(29)21(30-24(27)26-19-10-4-3-5-11-19)16-22(28)25-20-13-12-17-8-6-7-9-18(17)15-20/h3-13,15,21H,2,14,16H2,1H3,(H,25,28)/b26-24-/t21-/m0/s1.

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

N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 7974054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).