2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O3S — CID 46383830

IUPAC2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1
InChIInChI=1S/C20H16F3N3O3S/c1-29-16-7-5-15(6-8-16)26-19(28)10-9-18(25-26)30-12-17(27)24-14-4-2-3-13(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyGXGMACPIUNRNMW-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.99
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 46383830) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID46383830
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1
InChIInChI=1S/C20H16F3N3O3S/c1-29-16-7-5-15(6-8-16)26-19(28)10-9-18(25-26)30-12-17(27)24-14-4-2-3-13(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyGXGMACPIUNRNMW-UHFFFAOYSA-N
XLogP3.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383831
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829
4-methoxy-N-[2-[6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 18562956
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 46383851
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383879
2-[[4-(4-methoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4320054
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2213863
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1136030
2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20879279

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 46383830) is 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(-n2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GXGMACPIUNRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c1-29-16-7-5-15(6-8-16)26-19(28)10-9-18(25-26)30-12-17(27)24-14-4-2-3-13(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 435.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46383830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).