2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide

C20H15ClF3N3O2S — CID 41376785

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H15ClF3N3O2S/c1-29-17-8-4-13(20(22,23)24)10-16(17)25-18(28)11-30-19-9-7-15(26-27-19)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,25,28)
InChIKeyAAJILBZBIYFZRB-UHFFFAOYSA-N
MW453.87 g/mol
LogP5.56
Rot. Bonds6

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 41376785) has the molecular formula C20H15ClF3N3O2S and a molecular weight of 453.87 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID41376785
Molecular FormulaC20H15ClF3N3O2S
Molecular Weight453.87 g/mol
Exact Mass453.05
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H15ClF3N3O2S/c1-29-17-8-4-13(20(22,23)24)10-16(17)25-18(28)11-30-19-9-7-15(26-27-19)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,25,28)
InChIKeyAAJILBZBIYFZRB-UHFFFAOYSA-N
XLogP5.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.87
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 43936682
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16884696
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7207456
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
N-(2,4-difluorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562224
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957505
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376359
N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885783
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide (CID 41376785) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide is COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AAJILBZBIYFZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2S/c1-29-17-8-4-13(20(22,23)24)10-16(17)25-18(28)11-30-19-9-7-15(26-27-19)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,25,28).
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 453.87 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 41376785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).