N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

C24H18FN3O2S — CID 46323826

IUPACN-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4F)cc3)n2)cc1
InChIInChI=1S/C24H18FN3O2S/c1-16-6-12-19(13-7-16)31-22-14-15-23(29)28(27-22)18-10-8-17(9-11-18)24(30)26-21-5-3-2-4-20(21)25/h2-15H,1H3,(H,26,30)
InChIKeyCUSLZDIIBWLFFA-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.08
Rot. Bonds5

About N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (PubChem CID 46323826) has the molecular formula C24H18FN3O2S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
PubChem CID46323826
Molecular FormulaC24H18FN3O2S
Molecular Weight431.49 g/mol
Exact Mass431.11
IUPAC NameN-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4F)cc3)n2)cc1
InChIInChI=1S/C24H18FN3O2S/c1-16-6-12-19(13-7-16)31-22-14-15-23(29)28(27-22)18-10-8-17(9-11-18)24(30)26-21-5-3-2-4-20(21)25/h2-15H,1H3,(H,26,30)
InChIKeyCUSLZDIIBWLFFA-UHFFFAOYSA-N
XLogP5.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869440
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323824
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323886
N-(3-methoxypropyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323873
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
CID 46323783
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 46323762
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869424
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323684
N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323693

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (CID 46323826) is N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4F)cc3)n2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The InChIKey is CUSLZDIIBWLFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2S/c1-16-6-12-19(13-7-16)31-22-14-15-23(29)28(27-22)18-10-8-17(9-11-18)24(30)26-21-5-3-2-4-20(21)25/h2-15H,1H3,(H,26,30).
What are the key properties of N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide has a molecular weight of 431.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 46323826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).