2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

C24H20IN3O4S — CID 135420467

About 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (PubChem CID 135420467) has the molecular formula C24H20IN3O4S and a molecular weight of 573.41 g/mol. Its IUPAC name is 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
• PubChem CID: 135420467
• Molecular Formula: C24H20IN3O4S
• Molecular Weight: 573.41 g/mol
• Exact Mass: 573.02
• IUPAC Name: 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
• SMILES: CCOc1cc(C=C2S/C(=N\c3cccc4ccccc34)NC2=O)cc(I)c1OCC(N)=O
• InChI: InChI=1S/C24H20IN3O4S/c1-2-31-19-11-14(10-17(25)22(19)32-13-21(26)29)12-20-23(30)28-24(33-20)27-18-9-5-7-15-6-3-4-8-16(15)18/h3-12H,2,13H2,1H3,(H2,26,29)(H,27,28,30)
• InChIKey: COQGXNDIMGWREP-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 103.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.41
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?

The IUPAC name of 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (CID 135420467) is 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.

What is the SMILES notation for 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?

The canonical SMILES for 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is CCOc1cc(C=C2S/C(=N\c3cccc4ccccc34)NC2=O)cc(I)c1OCC(N)=O.

What is the InChIKey of 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?

The InChIKey is COQGXNDIMGWREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20IN3O4S/c1-2-31-19-11-14(10-17(25)22(19)32-13-21(26)29)12-20-23(30)28-24(33-20)27-18-9-5-7-15-6-3-4-8-16(15)18/h3-12H,2,13H2,1H3,(H2,26,29)(H,27,28,30).

What are the key properties of 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?

2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide has a molecular weight of 573.41 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-ethoxy-6-iodo-4-[(2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 135420467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).