N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

C31H25ClN4O5S — CID 19246624

About N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (PubChem CID 19246624) has the molecular formula C31H25ClN4O5S and a molecular weight of 601.08 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
• PubChem CID: 19246624
• Molecular Formula: C31H25ClN4O5S
• Molecular Weight: 601.08 g/mol
• Exact Mass: 600.12
• IUPAC Name: N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
• SMILES: COc1ccccc1/C=N\N=C1\S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1Cc1ccco1
• InChI: InChI=1S/C31H25ClN4O5S/c1-39-26-10-4-3-8-22(26)18-33-35-31-36(19-25-9-6-16-40-25)30(38)28(42-31)17-21-7-2-5-11-27(21)41-20-29(37)34-24-14-12-23(32)13-15-24/h2-18H,19-20H2,1H3,(H,34,37)/b28-17-,33-18-,35-31+
• InChIKey: KYUZVWCBRQAXSK-VIMBVUJASA-N
• XLogP: 6.47
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.08
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (CID 19246624) is N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is COc1ccccc1/C=N\N=C1\S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1Cc1ccco1.

What is the InChIKey of N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The InChIKey is KYUZVWCBRQAXSK-VIMBVUJASA-N. The full InChI is InChI=1S/C31H25ClN4O5S/c1-39-26-10-4-3-8-22(26)18-33-35-31-36(19-25-9-6-16-40-25)30(38)28(42-31)17-21-7-2-5-11-27(21)41-20-29(37)34-24-14-12-23(32)13-15-24/h2-18H,19-20H2,1H3,(H,34,37)/b28-17-,33-18-,35-31+.

What are the key properties of N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide has a molecular weight of 601.08 g/mol, XLogP of 6.47, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 19246624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).