2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide

C24H23N3O6S3 — CID 71588353

About 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide

2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 71588353) has the molecular formula C24H23N3O6S3 and a molecular weight of 545.66 g/mol. Its IUPAC name is 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 71588353
• Molecular Formula: C24H23N3O6S3
• Molecular Weight: 545.66 g/mol
• Exact Mass: 545.07
• IUPAC Name: 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide
• SMILES: C=CCc1cccc(/C=C2/SC(=S)N(NC(=S)C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)c1O
• InChI: InChI=1S/C24H23N3O6S3/c1-5-7-13-8-6-9-14(19(13)28)10-18-23(30)27(24(35)36-18)26-22(34)21(29)25-15-11-16(31-2)20(33-4)17(12-15)32-3/h5-6,8-12,28H,1,7H2,2-4H3,(H,25,29)(H,26,34)/b18-10+
• InChIKey: JWKTUYINTWKVKC-VCHYOVAHSA-N
• XLogP: 3.82
• TPSA: 109.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.66
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide?

The IUPAC name of 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide (CID 71588353) is 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide.

What is the SMILES notation for 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide?

The canonical SMILES for 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide is C=CCc1cccc(/C=C2/SC(=S)N(NC(=S)C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)c1O.

What is the InChIKey of 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is JWKTUYINTWKVKC-VCHYOVAHSA-N. The full InChI is InChI=1S/C24H23N3O6S3/c1-5-7-13-8-6-9-14(19(13)28)10-18-23(30)27(24(35)36-18)26-22(34)21(29)25-15-11-16(31-2)20(33-4)17(12-15)32-3/h5-6,8-12,28H,1,7H2,2-4H3,(H,25,29)(H,26,34)/b18-10+.

What are the key properties of 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide?

2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 545.66 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(5E)-5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 71588353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).