2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C19H19N3O4S — CID 646481

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-24-16-7-5-13(10-17(16)25-2)15-6-8-19(22-21-15)27-12-18(23)20-11-14-4-3-9-26-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyCAGQRSAJAAOZOS-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.16
Rot. Bonds8

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 646481) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID646481
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-24-16-7-5-13(10-17(16)25-2)15-6-8-19(22-21-15)27-12-18(23)20-11-14-4-3-9-26-14/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyCAGQRSAJAAOZOS-UHFFFAOYSA-N
XLogP3.16
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Furan-2-ylmethyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 644447
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
CID 1004339
N-(furan-2-ylmethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228000
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223
N-cyclopentyl-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7205812
N-(3,4-dimethoxyphenethyl)-2-((6-(furan-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207187
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 7207264
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7207272
2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16187100
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7207184
2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 3227999
N-(3,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207135

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 646481) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CAGQRSAJAAOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-16-7-5-13(10-17(16)25-2)15-6-8-19(22-21-15)27-12-18(23)20-11-14-4-3-9-26-14/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 646481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).