N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

C25H20FN3O2S — CID 42763751

IUPACN-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
SMILESCOc1ccc(-c2ccc(SCc3cccc(C(=O)Nc4ccc(F)cc4)c3)nn2)cc1
InChIInChI=1S/C25H20FN3O2S/c1-31-22-11-5-18(6-12-22)23-13-14-24(29-28-23)32-16-17-3-2-4-19(15-17)25(30)27-21-9-7-20(26)8-10-21/h2-15H,16H2,1H3,(H,27,30)
InChIKeyUXEXVHJGSJYTQZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.84
Rot. Bonds7

About N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide (PubChem CID 42763751) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
PubChem CID42763751
Molecular FormulaC25H20FN3O2S
Molecular Weight445.52 g/mol
Exact Mass445.13
IUPAC NameN-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
SMILESCOc1ccc(-c2ccc(SCc3cccc(C(=O)Nc4ccc(F)cc4)c3)nn2)cc1
InChIInChI=1S/C25H20FN3O2S/c1-31-22-11-5-18(6-12-22)23-13-14-24(29-28-23)32-16-17-3-2-4-19(15-17)25(30)27-21-9-7-20(26)8-10-21/h2-15H,16H2,1H3,(H,27,30)
InChIKeyUXEXVHJGSJYTQZ-UHFFFAOYSA-N
XLogP5.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544
1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 6402607
3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoic acid
CID 42763696
N-(3-methylbutyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide
CID 6413649
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16575563
3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide
CID 3640235
3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 27452337

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide (CID 42763751) is N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide is COc1ccc(-c2ccc(SCc3cccc(C(=O)Nc4ccc(F)cc4)c3)nn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
The InChIKey is UXEXVHJGSJYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c1-31-22-11-5-18(6-12-22)23-13-14-24(29-28-23)32-16-17-3-2-4-19(15-17)25(30)27-21-9-7-20(26)8-10-21/h2-15H,16H2,1H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide?
N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 42763751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).