N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

C24H22N2O2S3 — CID 4503233

About N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide (PubChem CID 4503233) has the molecular formula C24H22N2O2S3 and a molecular weight of 466.65 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
• PubChem CID: 4503233
• Molecular Formula: C24H22N2O2S3
• Molecular Weight: 466.65 g/mol
• Exact Mass: 466.08
• IUPAC Name: N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
• SMILES: O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc2ccccc12
• InChI: InChI=1S/C24H22N2O2S3/c27-22(25-20-12-6-9-17-8-3-4-11-19(17)20)13-2-1-5-14-26-23(28)21(31-24(26)29)16-18-10-7-15-30-18/h3-4,6-12,15-16H,1-2,5,13-14H2,(H,25,27)
• InChIKey: FDANBRBIYASLCV-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.65
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

The IUPAC name of N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide (CID 4503233) is N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide.

What is the SMILES notation for N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

The canonical SMILES for N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc2ccccc12.

What is the InChIKey of N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

The InChIKey is FDANBRBIYASLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S3/c27-22(25-20-12-6-9-17-8-3-4-11-19(17)20)13-2-1-5-14-26-23(28)21(31-24(26)29)16-18-10-7-15-30-18/h3-4,6-12,15-16H,1-2,5,13-14H2,(H,25,27).

What are the key properties of N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide has a molecular weight of 466.65 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is sourced from PubChem (CID 4503233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).