4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine

C20H23NO2S — CID 133452191

IUPAC4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine
SMILESCCc1ccc(C2=CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H23NO2S/c1-3-16-4-6-17(7-5-16)18-12-14-21(15-13-18)19-8-10-20(11-9-19)24(2,22)23/h4-12H,3,13-15H2,1-2H3
InChIKeyZBXGRYLBZFBZOU-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.95
Rot. Bonds4

About 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine

4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 133452191) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine
PubChem CID133452191
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine
SMILESCCc1ccc(C2=CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H23NO2S/c1-3-16-4-6-17(7-5-16)18-12-14-21(15-13-18)19-8-10-20(11-9-19)24(2,22)23/h4-12H,3,13-15H2,1-2H3
InChIKeyZBXGRYLBZFBZOU-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine
CID 133444352
1-ethyl-4-methylsulfonylbenzene
CID 143759723
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
[3-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-nitrophenyl]methanol
CID 133438790
3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
CID 121456160
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile
CID 133444389
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133444379
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
N'-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263541
[4-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl] 2,2,2-trifluoroacetate
CID 142687385
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine (CID 133452191) is 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine is CCc1ccc(C2=CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ZBXGRYLBZFBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-3-16-4-6-17(7-5-16)18-12-14-21(15-13-18)19-8-10-20(11-9-19)24(2,22)23/h4-12H,3,13-15H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine?
4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 341.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 133452191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).