N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C19H18N4O3S — CID 7502931

IUPACN-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc(OC)c1
InChIInChI=1S/C19H18N4O3S/c1-25-14-9-13(10-15(11-14)26-2)21-18(24)12-27-19-7-6-17(22-23-19)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyQLBPSZYWVMRQRJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.29
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7502931) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7502931
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc(OC)c1
InChIInChI=1S/C19H18N4O3S/c1-25-14-9-13(10-15(11-14)26-2)21-18(24)12-27-19-7-6-17(22-23-19)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyQLBPSZYWVMRQRJ-UHFFFAOYSA-N
XLogP3.29
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207470
N-(2-methoxybenzyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207466
N-(2-methoxybenzyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207467
N-(4-methoxyphenethyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207478
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222457
N-(3,4-dimethoxyphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 12006154
N-(2,5-dimethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222455
N-(2,4-dimethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222453
N-(3,5-dimethoxyphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7502939
N-(4-ethoxyphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 12006188
N-(2-methoxyphenyl)-2-[(6-pyridin-2-ylpyridazin-3-yl)thio]acetamide
CID 16019315
N-(2-Methoxy-5-methylphenyl)-2-{[6-(pyridin-2-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019322

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7502931) is N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is COc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is QLBPSZYWVMRQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-25-14-9-13(10-15(11-14)26-2)21-18(24)12-27-19-7-6-17(22-23-19)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 382.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7502931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).