2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide

C24H18N4O4S2 — CID 2716234

IUPAC2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1
InChIInChI=1S/C24H18N4O4S2/c1-14-6-8-15(9-7-14)25-20(29)13-28-22(30)19(33-24(28)31)12-16-10-11-21(32-16)34-23-26-17-4-2-3-5-18(17)27-23/h2-12H,13H2,1H3,(H,25,29)(H,26,27)/b19-12-
InChIKeyJUTNDAXBFNYSLA-UNOMPAQXSA-N
MW490.57 g/mol
LogP5.29
Rot. Bonds6

About 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide

2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 2716234) has the molecular formula C24H18N4O4S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID2716234
Molecular FormulaC24H18N4O4S2
Molecular Weight490.57 g/mol
Exact Mass490.08
IUPAC Name2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1
InChIInChI=1S/C24H18N4O4S2/c1-14-6-8-15(9-7-14)25-20(29)13-28-22(30)19(33-24(28)31)12-16-10-11-21(32-16)34-23-26-17-4-2-3-5-18(17)27-23/h2-12H,13H2,1H3,(H,25,29)(H,26,27)/b19-12-
InChIKeyJUTNDAXBFNYSLA-UNOMPAQXSA-N
XLogP5.29
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide (CID 2716234) is 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1.
What is the InChIKey of 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is JUTNDAXBFNYSLA-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H18N4O4S2/c1-14-6-8-15(9-7-14)25-20(29)13-28-22(30)19(33-24(28)31)12-16-10-11-21(32-16)34-23-26-17-4-2-3-5-18(17)27-23/h2-12H,13H2,1H3,(H,25,29)(H,26,27)/b19-12-.
What are the key properties of 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 490.57 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2716234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).