N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide

C19H19N3O2S2 — CID 16194335

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3
InChIInChI=1S/C19H19N3O2S2/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyOQFKVSQDXVAMGV-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.30
Rot. Bonds8

About N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide

N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide (PubChem CID 16194335) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
PubChem CID16194335
Molecular FormulaC19H19N3O2S2
Molecular Weight385.50 g/mol
Exact Mass385.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3
InChIInChI=1S/C19H19N3O2S2/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyOQFKVSQDXVAMGV-UHFFFAOYSA-N
XLogP3.30
TPSA118.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity433

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide?
The IUPAC name of N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide (CID 16194335) is N-[2-(4-methoxyphenyl)ethyl]-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide?
The canonical SMILES for N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide is COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CS3.
What is the InChIKey of N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide?
The InChIKey is OQFKVSQDXVAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide?
N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide has a molecular weight of 385.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide is sourced from PubChem (CID 16194335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).