N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide

C28H20N2O2S2 — CID 2132675

About N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide

N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 2132675) has the molecular formula C28H20N2O2S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide
• PubChem CID: 2132675
• Molecular Formula: C28H20N2O2S2
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.10
• IUPAC Name: N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide
• SMILES: O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H20N2O2S2/c31-26(25(20-11-3-1-4-12-20)21-13-5-2-6-14-21)29-30-27(32)24(34-28(30)33)18-22-16-9-15-19-10-7-8-17-23(19)22/h1-18,25H,(H,29,31)/b24-18-
• InChIKey: BWNMFWJKYJVYTM-MOHJPFBDSA-N
• XLogP: 5.90
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', '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-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide?

The IUPAC name of N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide (CID 2132675) is N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide is O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)C(c1ccccc1)c1ccccc1.

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

The InChIKey is BWNMFWJKYJVYTM-MOHJPFBDSA-N. The full InChI is InChI=1S/C28H20N2O2S2/c31-26(25(20-11-3-1-4-12-20)21-13-5-2-6-14-21)29-30-27(32)24(34-28(30)33)18-22-16-9-15-19-10-7-8-17-23(19)22/h1-18,25H,(H,29,31)/b24-18-.

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

N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 480.61 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 2132675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).