N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

C27H26N4O4S — CID 18836553

About N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 18836553) has the molecular formula C27H26N4O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 18836553
• Molecular Formula: C27H26N4O4S
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.17
• IUPAC Name: N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
• SMILES: C=CCN1C(=O)C(CC(=O)Nc2ccc(OCC)cc2)S/C1=N\N=C\c1ccc(-c2ccccc2)o1
• InChI: InChI=1S/C27H26N4O4S/c1-3-16-31-26(33)24(17-25(32)29-20-10-12-21(13-11-20)34-4-2)36-27(31)30-28-18-22-14-15-23(35-22)19-8-6-5-7-9-19/h3,5-15,18,24H,1,4,16-17H2,2H3,(H,29,32)/b28-18+,30-27-
• InChIKey: XERXQOASCKUEOX-QRGJOVSOSA-N
• XLogP: 5.19
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (CID 18836553) is N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)C(CC(=O)Nc2ccc(OCC)cc2)S/C1=N\N=C\c1ccc(-c2ccccc2)o1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is XERXQOASCKUEOX-QRGJOVSOSA-N. The full InChI is InChI=1S/C27H26N4O4S/c1-3-16-31-26(33)24(17-25(32)29-20-10-12-21(13-11-20)34-4-2)36-27(31)30-28-18-22-14-15-23(35-22)19-8-6-5-7-9-19/h3,5-15,18,24H,1,4,16-17H2,2H3,(H,29,32)/b28-18+,30-27-.

What are the key properties of N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?

N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 502.60 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[(2Z)-4-oxo-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 18836553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).