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

C18H21N3O3S — CID 20930344

IUPAC2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CC3CCCC3)cc2)nn1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)18-11-10-16(20-21-18)14-6-8-15(9-7-14)19-17(22)12-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,19,22)
InChIKeyIWKWZNGVVYOCDP-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.07
Rot. Bonds5

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

2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (PubChem CID 20930344) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
PubChem CID20930344
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CC3CCCC3)cc2)nn1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)18-11-10-16(20-21-18)14-6-8-15(9-7-14)19-17(22)12-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,19,22)
InChIKeyIWKWZNGVVYOCDP-UHFFFAOYSA-N
XLogP3.07
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 18567874
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213083
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
CID 18567835
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-9H-xanthene-9-carboxamide
CID 41213100
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 27452337

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (CID 20930344) is 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is CS(=O)(=O)c1ccc(-c2ccc(NC(=O)CC3CCCC3)cc2)nn1.
What is the InChIKey of 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is IWKWZNGVVYOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(23,24)18-11-10-16(20-21-18)14-6-8-15(9-7-14)19-17(22)12-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 20930344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).