N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C19H18N4OS — CID 7222440

IUPACN-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H18N4OS/c1-2-14-5-7-16(8-6-14)21-18(24)13-25-19-10-9-17(22-23-19)15-4-3-11-20-12-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyJGANVKSHGAYNGK-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.83
Rot. Bonds6

About N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222440) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222440
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H18N4OS/c1-2-14-5-7-16(8-6-14)21-18(24)13-25-19-10-9-17(22-23-19)15-4-3-11-20-12-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyJGANVKSHGAYNGK-UHFFFAOYSA-N
XLogP3.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
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
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-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180
N-(4-methylphenyl)-3-(2-pyridinylsulfanyl)propanamide
CID 851336

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222440) is N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is JGANVKSHGAYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-14-5-7-16(8-6-14)21-18(24)13-25-19-10-9-17(22-23-19)15-4-3-11-20-12-15/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).