N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide

C26H23N3O7S2 — CID 6529712

About N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide

N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide (PubChem CID 6529712) has the molecular formula C26H23N3O7S2 and a molecular weight of 553.62 g/mol. Its IUPAC name is N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
• PubChem CID: 6529712
• Molecular Formula: C26H23N3O7S2
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.10
• IUPAC Name: N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
• SMILES: COc1ccc(/C=C2\SC(=O)N(CCN3C(=O)S/C(=C\c4ccc(NC(C)=O)cc4)C3=O)C2=O)c(OC)c1
• InChI: InChI=1S/C26H23N3O7S2/c1-15(30)27-18-7-4-16(5-8-18)12-21-23(31)28(25(33)37-21)10-11-29-24(32)22(38-26(29)34)13-17-6-9-19(35-2)14-20(17)36-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,30)/b21-12-,22-13-
• InChIKey: PHPMVMANQBIKES-HDSGJDLKSA-N
• XLogP: 4.43
• TPSA: 122.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?

The IUPAC name of N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide (CID 6529712) is N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?

The canonical SMILES for N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide is COc1ccc(/C=C2\SC(=O)N(CCN3C(=O)S/C(=C\c4ccc(NC(C)=O)cc4)C3=O)C2=O)c(OC)c1.

What is the InChIKey of N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?

The InChIKey is PHPMVMANQBIKES-HDSGJDLKSA-N. The full InChI is InChI=1S/C26H23N3O7S2/c1-15(30)27-18-7-4-16(5-8-18)12-21-23(31)28(25(33)37-21)10-11-29-24(32)22(38-26(29)34)13-17-6-9-19(35-2)14-20(17)36-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,30)/b21-12-,22-13-.

What are the key properties of N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?

N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide has a molecular weight of 553.62 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 6529712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).