N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

C20H18FN3OS — CID 8542992

IUPACN-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1C
InChIInChI=1S/C20H18FN3OS/c1-13-4-3-5-17(14(13)2)22-19(25)12-26-20-11-10-18(23-24-20)15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyYFOVBUNZGHAQGH-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.63
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 8542992) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID8542992
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1C
InChIInChI=1S/C20H18FN3OS/c1-13-4-3-5-17(14(13)2)22-19(25)12-26-20-11-10-18(23-24-20)15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyYFOVBUNZGHAQGH-UHFFFAOYSA-N
XLogP4.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 8543081
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672457
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519599
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 42138904
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
N-(2-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 27460923
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542081
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (CID 8542992) is N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is YFOVBUNZGHAQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-13-4-3-5-17(14(13)2)22-19(25)12-26-20-11-10-18(23-24-20)15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 367.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 8542992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).