N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C20H18FN3O6S — CID 86810334

IUPACN-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1
InChIInChI=1S/C20H18FN3O6S/c1-29-14-6-7-17(30-2)16(11-14)22-18(25)12-24-20(26)9-8-19(23-24)31(27,28)15-5-3-4-13(21)10-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyGKHNZJHHZPXFAF-UHFFFAOYSA-N
MW447.44 g/mol
LogP1.87
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 86810334) has the molecular formula C20H18FN3O6S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID86810334
Molecular FormulaC20H18FN3O6S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1
InChIInChI=1S/C20H18FN3O6S/c1-29-14-6-7-17(30-2)16(11-14)22-18(25)12-24-20(26)9-8-19(23-24)31(27,28)15-5-3-4-13(21)10-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyGKHNZJHHZPXFAF-UHFFFAOYSA-N
XLogP1.87
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide 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-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073533
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073490
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073644
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653
N-(2,5-dimethoxyphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7658294
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
N-(2,5-dimethoxyphenyl)-2-[(6R)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
CID 92714770
N-(2,4-dimethoxyphenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51048517
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 86810334) is N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is GKHNZJHHZPXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O6S/c1-29-14-6-7-17(30-2)16(11-14)22-18(25)12-24-20(26)9-8-19(23-24)31(27,28)15-5-3-4-13(21)10-15/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 447.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 86810334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).