2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O2S — CID 18562261

IUPAC2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)c1
InChIInChI=1S/C20H16F3N3O2S/c1-28-14-6-4-5-13(11-14)16-9-10-19(26-25-16)29-12-18(27)24-17-8-3-2-7-15(17)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyBMNNVVJXBJMKEW-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.90
Rot. Bonds6

About 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18562261) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID18562261
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC Name2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)c1
InChIInChI=1S/C20H16F3N3O2S/c1-28-14-6-4-5-13(11-14)16-9-10-19(26-25-16)29-12-18(27)24-17-8-3-2-7-15(17)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyBMNNVVJXBJMKEW-UHFFFAOYSA-N
XLogP4.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502862
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16840642
N-(3-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502874
N-(furan-2-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936677
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3227996
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502861
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16518917
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 29044651

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 18562261) is 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BMNNVVJXBJMKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-28-14-6-4-5-13(11-14)16-9-10-19(26-25-16)29-12-18(27)24-17-8-3-2-7-15(17)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18562261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).