2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide

C21H21N3O2S — CID 7502785

IUPAC2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1-c1ccc(SCC(=O)NCCc2ccccc2)nn1
InChIInChI=1S/C21H21N3O2S/c1-26-19-10-6-5-9-17(19)18-11-12-21(24-23-18)27-15-20(25)22-14-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyCSQYXBOLYFQMMO-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.60
Rot. Bonds8

About 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide

2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 7502785) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID7502785
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1-c1ccc(SCC(=O)NCCc2ccccc2)nn1
InChIInChI=1S/C21H21N3O2S/c1-26-19-10-6-5-9-17(19)18-11-12-21(24-23-18)27-15-20(25)22-14-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyCSQYXBOLYFQMMO-UHFFFAOYSA-N
XLogP3.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 7205866
3-Benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
CID 7206031
3-((4-Fluorobenzyl)thio)-6-(2-methoxyphenyl)pyridazine
CID 7206037
3-(2-Methoxyphenyl)-6-((4-methylbenzyl)thio)pyridazine
CID 7206042
N-(3-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194270
N-Cyclohexyl-2-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 3228003
N-(3,4-dimethoxyphenethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228049
N-cyclopentyl-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7205812
N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205845
N-(2-methoxybenzyl)-2-((6-(3-nitrophenyl)pyridazin-3-yl)thio)acetamide
CID 7205923
N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide
CID 7205933
2-((6-(4-Ethoxyphenyl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 7205954

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 7502785) is 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide is COc1ccccc1-c1ccc(SCC(=O)NCCc2ccccc2)nn1.
What is the InChIKey of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is CSQYXBOLYFQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-26-19-10-6-5-9-17(19)18-11-12-21(24-23-18)27-15-20(25)22-14-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,22,25).
What are the key properties of 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7502785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).