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

C18H16N4O3S — CID 7207150

IUPACN-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C18H16N4O3S/c1-12(23)19-13-4-2-5-14(10-13)20-17(24)11-26-18-8-7-15(21-22-18)16-6-3-9-25-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyPOFDFBQBTLTLNB-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.43
Rot. Bonds6

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

N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207150) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207150
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C18H16N4O3S/c1-12(23)19-13-4-2-5-14(10-13)20-17(24)11-26-18-8-7-15(21-22-18)16-6-3-9-25-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyPOFDFBQBTLTLNB-UHFFFAOYSA-N
XLogP3.43
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
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
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
3-(Furan-2-yl)-6-(methylsulfanyl)pyridazine
CID 6624109
N-Furan-2-ylmethyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 644447
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 6624223
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 7207110
N-(3,5-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207118
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7207131
N-(2,4-dimethoxyphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207138

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207150) is N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is POFDFBQBTLTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12(23)19-13-4-2-5-14(10-13)20-17(24)11-26-18-8-7-15(21-22-18)16-6-3-9-25-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 368.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).