1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone

C23H29NO3S — CID 162013524

IUPAC1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H29NO3S/c1-4-19-6-8-20(9-7-19)16-22(25)21-11-13-24(14-12-21)28(26,27)23-10-5-17(2)15-18(23)3/h5-10,15,21H,4,11-14,16H2,1-3H3
InChIKeyYTUJIHZYJKCIGI-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.08
Rot. Bonds6

About 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone

1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone (PubChem CID 162013524) has the molecular formula C23H29NO3S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone
PubChem CID162013524
Molecular FormulaC23H29NO3S
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Name1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H29NO3S/c1-4-19-6-8-20(9-7-19)16-22(25)21-11-13-24(14-12-21)28(26,27)23-10-5-17(2)15-18(23)3/h5-10,15,21H,4,11-14,16H2,1-3H3
InChIKeyYTUJIHZYJKCIGI-UHFFFAOYSA-N
XLogP4.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylethanone
CID 157316860
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25487612
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone
CID 8857020
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide
CID 2407586
N-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990508
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone (CID 162013524) is 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone?
The InChIKey is YTUJIHZYJKCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3S/c1-4-19-6-8-20(9-7-19)16-22(25)21-11-13-24(14-12-21)28(26,27)23-10-5-17(2)15-18(23)3/h5-10,15,21H,4,11-14,16H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone?
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone has a molecular weight of 399.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 162013524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).