(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

C17H15NO4S — CID 5393187

IUPAC(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=S)c(OC)c1
InChIInChI=1S/C17H15NO4S/c1-9-6-12-14(22-17(19)15(12)16(23)18-9)7-10-4-5-11(20-2)8-13(10)21-3/h4-8H,1-3H3,(H,18,23)/b14-7-
InChIKeyZNOVJULRWMXXCE-AUWJEWJLSA-N
MW329.38 g/mol
LogP3.74
Rot. Bonds3

About (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (PubChem CID 5393187) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
PubChem CID5393187
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=S)c(OC)c1
InChIInChI=1S/C17H15NO4S/c1-9-6-12-14(22-17(19)15(12)16(23)18-9)7-10-4-5-11(20-2)8-13(10)21-3/h4-8H,1-3H3,(H,18,23)/b14-7-
InChIKeyZNOVJULRWMXXCE-AUWJEWJLSA-N
XLogP3.74
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_J(4)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 15212297
(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 5452356
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
CID 10860799
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]oxane-2,6-dione
CID 82159960
(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 20715573
2-[(2,4-dimethoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
CID 3701326
(1E)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 684188
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126059452
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
[2-[(2,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
CID 4836485
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 2647754
(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 15965446

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The IUPAC name of (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (CID 5393187) is (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is COc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=S)c(OC)c1.
What is the InChIKey of (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The InChIKey is ZNOVJULRWMXXCE-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-9-6-12-14(22-17(19)15(12)16(23)18-9)7-10-4-5-11(20-2)8-13(10)21-3/h4-8H,1-3H3,(H,18,23)/b14-7-.
What are the key properties of (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one has a molecular weight of 329.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 5393187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).