N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C20H19N3OS — CID 8541081

IUPACN-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C20H19N3OS/c1-2-15-8-10-17(11-9-15)21-19(24)14-25-20-13-12-18(22-23-20)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyMTJHDTFKKWCGEU-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.44
Rot. Bonds6

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

N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 8541081) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID8541081
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C20H19N3OS/c1-2-15-8-10-17(11-9-15)21-19(24)14-25-20-13-12-18(22-23-20)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyMTJHDTFKKWCGEU-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936708
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
N-(4-ethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200612
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502592

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 8541081) is N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is MTJHDTFKKWCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-2-15-8-10-17(11-9-15)21-19(24)14-25-20-13-12-18(22-23-20)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 8541081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).