2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

C18H13F3N4OS — CID 20900482

IUPAC2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N4OS/c19-18(20,21)12-4-6-13(7-5-12)23-16(26)11-27-17-9-8-15(24-25-17)14-3-1-2-10-22-14/h1-10H,11H2,(H,23,26)
InChIKeyVFRJLWWFQYSODP-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.29
Rot. Bonds5

About 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 20900482) has the molecular formula C18H13F3N4OS and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID20900482
Molecular FormulaC18H13F3N4OS
Molecular Weight390.39 g/mol
Exact Mass390.08
IUPAC Name2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N4OS/c19-18(20,21)12-4-6-13(7-5-12)23-16(26)11-27-17-9-8-15(24-25-17)14-3-1-2-10-22-14/h1-10H,11H2,(H,23,26)
InChIKeyVFRJLWWFQYSODP-UHFFFAOYSA-N
XLogP4.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16822557
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 41084935
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
N-[6-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139288
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955
2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylbenzoate
CID 4575825
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936729

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 20900482) is 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VFRJLWWFQYSODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4OS/c19-18(20,21)12-4-6-13(7-5-12)23-16(26)11-27-17-9-8-15(24-25-17)14-3-1-2-10-22-14/h1-10H,11H2,(H,23,26).
What are the key properties of 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20900482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).