2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C20H21N3O3S2 — CID 71802552

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NCCc3cccs3)nn2)cc1OC
InChIInChI=1S/C20H21N3O3S2/c1-25-17-7-5-14(12-18(17)26-2)16-6-8-20(23-22-16)28-13-19(24)21-10-9-15-4-3-11-27-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)
InChIKeySSGNPKIGLGHCOK-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.67
Rot. Bonds9

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 71802552) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID71802552
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NCCc3cccs3)nn2)cc1OC
InChIInChI=1S/C20H21N3O3S2/c1-25-17-7-5-14(12-18(17)26-2)16-6-8-20(23-22-16)28-13-19(24)21-10-9-15-4-3-11-27-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)
InChIKeySSGNPKIGLGHCOK-UHFFFAOYSA-N
XLogP3.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 71802552) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is COc1ccc(-c2ccc(SCC(=O)NCCc3cccs3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is SSGNPKIGLGHCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-25-17-7-5-14(12-18(17)26-2)16-6-8-20(23-22-16)28-13-19(24)21-10-9-15-4-3-11-27-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 71802552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).