3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

C18H15FN4O3S — CID 42138405

IUPAC3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccco1
InChIInChI=1S/C18H15FN4O3S/c19-13-4-1-3-12(9-13)18(25)21-15-6-7-17(23-22-15)27-11-16(24)20-10-14-5-2-8-26-14/h1-9H,10-11H2,(H,20,24)(H,21,22,25)
InChIKeyMMMMAFUHRAARFS-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.87
Rot. Bonds7

About 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (PubChem CID 42138405) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
PubChem CID42138405
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccco1
InChIInChI=1S/C18H15FN4O3S/c19-13-4-1-3-12(9-13)18(25)21-15-6-7-17(23-22-15)27-11-16(24)20-10-14-5-2-8-26-14/h1-9H,10-11H2,(H,20,24)(H,21,22,25)
InChIKeyMMMMAFUHRAARFS-UHFFFAOYSA-N
XLogP2.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-{4-[5-({[(2-Fluorophenyl)methyl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-YL}pyridazin-3-YL)morpholine
CID 5309533
N-(furan-2-ylmethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228000
N-(2-furylmethyl)-2-{[3-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}acetamide
CID 3235860
2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3235873
N-(2-furanylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetamide
CID 3239237
2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 3239278
2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 3227999
N-(4-fluorobenzyl)-2-((6-(furan-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207178
N-(2-(6-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
CID 16800544
4-fluoro-N-(2-(6-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
CID 18562997
1-(6-(4-fluorophenyl)pyridazin-3-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 30866782
3-fluoro-N-(6-((2-((2-methoxybenzyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138442

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (CID 42138405) is 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccco1.
What is the InChIKey of 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The InChIKey is MMMMAFUHRAARFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c19-13-4-1-3-12(9-13)18(25)21-15-6-7-17(23-22-15)27-11-16(24)20-10-14-5-2-8-26-14/h1-9H,10-11H2,(H,20,24)(H,21,22,25).
What are the key properties of 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is sourced from PubChem (CID 42138405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).