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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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).