3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide

C21H27N3O3S — CID 18567874

IUPAC3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CCC3CCCCC3)cc2)nn1
InChIInChI=1S/C21H27N3O3S/c1-2-28(26,27)21-15-13-19(23-24-21)17-9-11-18(12-10-17)22-20(25)14-8-16-6-4-3-5-7-16/h9-13,15-16H,2-8,14H2,1H3,(H,22,25)
InChIKeyJPWOQUQZBHWYRD-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.24
Rot. Bonds7

About 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide

3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide (PubChem CID 18567874) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
PubChem CID18567874
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CCC3CCCCC3)cc2)nn1
InChIInChI=1S/C21H27N3O3S/c1-2-28(26,27)21-15-13-19(23-24-21)17-9-11-18(12-10-17)22-20(25)14-8-16-6-4-3-5-7-16/h9-13,15-16H,2-8,14H2,1H3,(H,22,25)
InChIKeyJPWOQUQZBHWYRD-UHFFFAOYSA-N
XLogP4.24
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
CID 18567835
2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 20930344
4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
CID 41213174
3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873246
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41159990
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide (CID 18567874) is 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide is CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CCC3CCCCC3)cc2)nn1.
What is the InChIKey of 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is JPWOQUQZBHWYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-28(26,27)21-15-13-19(23-24-21)17-9-11-18(12-10-17)22-20(25)14-8-16-6-4-3-5-7-16/h9-13,15-16H,2-8,14H2,1H3,(H,22,25).
What are the key properties of 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide?
3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 401.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 18567874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).