N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C21H19N3O3S — CID 7206083

IUPACN-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1-c1ccc(SCC(=O)Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C21H19N3O3S/c1-14(25)15-6-5-7-16(12-15)22-20(26)13-28-21-11-10-18(23-24-21)17-8-3-4-9-19(17)27-2/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyIXIXNJVIBDLYJX-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.09
Rot. Bonds7

About N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7206083) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7206083
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1-c1ccc(SCC(=O)Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C21H19N3O3S/c1-14(25)15-6-5-7-16(12-15)22-20(26)13-28-21-11-10-18(23-24-21)17-8-3-4-9-19(17)27-2/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyIXIXNJVIBDLYJX-UHFFFAOYSA-N
XLogP4.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 7206081
N-(3-acetylphenyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2399177
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900462
N-(3-chloro-2-methylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542753
N-(3-acetylphenyl)-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 996644
N-(3-acetylphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916753
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(3,4-dimethoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916803
1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7206085
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7206083) is N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccccc1-c1ccc(SCC(=O)Nc2cccc(C(C)=O)c2)nn1.
What is the InChIKey of N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is IXIXNJVIBDLYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14(25)15-6-5-7-16(12-15)22-20(26)13-28-21-11-10-18(23-24-21)17-8-3-4-9-19(17)27-2/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 393.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7206083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).