2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

C20H19N3O3S — CID 41213083

IUPAC2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-4-3-5-15(12-14)13-19(24)21-17-8-6-16(7-9-17)18-10-11-20(23-22-18)27(2,25)26/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyFISNKKPFOXWAQT-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.04
Rot. Bonds5

About 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (PubChem CID 41213083) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
PubChem CID41213083
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-4-3-5-15(12-14)13-19(24)21-17-8-6-16(7-9-17)18-10-11-20(23-22-18)27(2,25)26/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyFISNKKPFOXWAQT-UHFFFAOYSA-N
XLogP3.04
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]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

2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
2-(3-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720231
2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 20930344
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (CID 41213083) is 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is Cc1cccc(CC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is FISNKKPFOXWAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-4-3-5-15(12-14)13-19(24)21-17-8-6-16(7-9-17)18-10-11-20(23-22-18)27(2,25)26/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 41213083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).