N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C23H20N4O5S2 — CID 27514023

About N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 27514023) has the molecular formula C23H20N4O5S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 27514023
• Molecular Formula: C23H20N4O5S2
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.09
• IUPAC Name: N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3csc(NC(=O)c4ccco4)n3)C2=O)cc1
• InChI: InChI=1S/C23H20N4O5S2/c1-14-4-6-15(7-5-14)11-18-21(30)27(23(31)34-18)9-8-24-19(28)12-16-13-33-22(25-16)26-20(29)17-3-2-10-32-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,24,28)(H,25,26,29)/b18-11-
• InChIKey: DWWMYUGMGXBKQG-WQRHYEAKSA-N
• XLogP: 3.69
• TPSA: 121.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 27514023) is N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)Cc3csc(NC(=O)c4ccco4)n3)C2=O)cc1.

What is the InChIKey of N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is DWWMYUGMGXBKQG-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H20N4O5S2/c1-14-4-6-15(7-5-14)11-18-21(30)27(23(31)34-18)9-8-24-19(28)12-16-13-33-22(25-16)26-20(29)17-3-2-10-32-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,24,28)(H,25,26,29)/b18-11-.

What are the key properties of N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 27514023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).