N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C18H16N4OS — CID 7222431

IUPACN-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C18H16N4OS/c1-13-4-2-6-15(10-13)20-17(23)12-24-18-8-7-16(21-22-18)14-5-3-9-19-11-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyKHABRYLAMSKCQM-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.58
Rot. Bonds5

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

N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222431) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222431
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C18H16N4OS/c1-13-4-2-6-15(10-13)20-17(23)12-24-18-8-7-16(21-22-18)14-5-3-9-19-11-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyKHABRYLAMSKCQM-UHFFFAOYSA-N
XLogP3.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 6867577
3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
ST4014630
CID 684061
1-Piperidin-1-yl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 6624152
3-(3-Nitrophenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 7162172
2-(6-Pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 7162441
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207460
3-(3-Nitrophenyl)-6-((pyridin-2-ylmethyl)thio)pyridazine
CID 16194847
1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 24791640
3-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222431) is N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is KHABRYLAMSKCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-13-4-2-6-15(10-13)20-17(23)12-24-18-8-7-16(21-22-18)14-5-3-9-19-11-14/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 336.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).