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

C19H18N4OS — CID 7207341

IUPACN-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1C
InChIInChI=1S/C19H18N4OS/c1-13-6-5-8-15(14(13)2)21-18(24)12-25-19-10-9-17(22-23-19)16-7-3-4-11-20-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeySMUAVHAEQXSMHP-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.89
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207341) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207341
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1C
InChIInChI=1S/C19H18N4OS/c1-13-6-5-8-15(14(13)2)21-18(24)12-25-19-10-9-17(22-23-19)16-7-3-4-11-20-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeySMUAVHAEQXSMHP-UHFFFAOYSA-N
XLogP3.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
1-Piperidin-1-yl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 6624152
2-(6-Pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 7162441
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207460
N-naphthalen-1-yl-2-pyridin-2-ylsulfanylacetamide
CID 2169373
N-{3-Methyl-5-[2-(pyridin-2-ylsulfanyl)-acetylamino]-phenyl}-2-(pyridin-2-ylsulfanyl)-acetamide
CID 2991741
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
CID 7207329
1-(Indolin-1-yl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)ethanone
CID 7207393
N-(3-acetylphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207435
N-(3-chloro-2-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207497
N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207502
2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 7222431

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207341) is N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is SMUAVHAEQXSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-6-5-8-15(14(13)2)21-18(24)12-25-19-10-9-17(22-23-19)16-7-3-4-11-20-16/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).