N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C18H15N3O3S — CID 7207172

IUPACN-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C18H15N3O3S/c1-12(22)13-4-6-14(7-5-13)19-17(23)11-25-18-9-8-15(20-21-18)16-3-2-10-24-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyWYBXKZVVTWMPFH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.67
Rot. Bonds6

About N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207172) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207172
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C18H15N3O3S/c1-12(22)13-4-6-14(7-5-13)19-17(23)11-25-18-9-8-15(20-21-18)16-3-2-10-24-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyWYBXKZVVTWMPFH-UHFFFAOYSA-N
XLogP3.67
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(Furan-2-yl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 6624069
3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207095
N-cyclohexyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207099
N-cyclopentyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207106
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7207115
1-(Azepan-1-yl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone
CID 7207196
N-(4-(6-methoxypyridazin-3-yl)phenyl)furan-2-carboxamide
CID 7593581
N-Furan-2-ylmethyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 644447
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 1288829
N-(furan-2-ylmethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228000
3-Benzylsulfanyl-6-(furan-2-yl)pyridazine
CID 6624186
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207172) is N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WYBXKZVVTWMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12(22)13-4-6-14(7-5-13)19-17(23)11-25-18-9-8-15(20-21-18)16-3-2-10-24-16/h2-10H,11H2,1H3,(H,19,23).
What are the key properties of N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 353.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).