1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone

C18H21F5N2O3S — CID 51041349

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone
SMILESO=C(CNC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H21F5N2O3S/c19-17(20)4-6-25(7-5-17)16(26)11-24-13-9-15(10-13)29(27,28)14-3-1-2-12(8-14)18(21,22)23/h1-3,8,13,15,24H,4-7,9-11H2
InChIKeyLFOIPOPBSANEIL-UHFFFAOYSA-N
MW440.43 g/mol
LogP2.86
Rot. Bonds5

About 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone (PubChem CID 51041349) has the molecular formula C18H21F5N2O3S and a molecular weight of 440.43 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone
PubChem CID51041349
Molecular FormulaC18H21F5N2O3S
Molecular Weight440.43 g/mol
Exact Mass440.12
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone
SMILESO=C(CNC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H21F5N2O3S/c19-17(20)4-6-25(7-5-17)16(26)11-24-13-9-15(10-13)29(27,28)14-3-1-2-12(8-14)18(21,22)23/h1-3,8,13,15,24H,4-7,9-11H2
InChIKeyLFOIPOPBSANEIL-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone with MolForge

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Related Compounds

3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 15995967
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 20968387
N-Cyclopentyl-2-{4-[3-(trifluoromethyl)benzenesulfonyl]piperazin-1-YL}acetamide
CID 1450137
1-[4-[1-(4-Methylsulfonylphenyl)propan-2-yl-propylamino]butyl]piperazin-2-one
CID 10158444
N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17489420
N-cyclohexyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17493732
N-methyl-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11518037
N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 11562005
N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 11605599
N-(3-methylbutyl)-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11641927
N-methyl-N-[1-[(2R)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11669562
N-[1-[2-(cyclohexylamino)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 16755765

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone (CID 51041349) is 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone is O=C(CNC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone?
The InChIKey is LFOIPOPBSANEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5N2O3S/c19-17(20)4-6-25(7-5-17)16(26)11-24-13-9-15(10-13)29(27,28)14-3-1-2-12(8-14)18(21,22)23/h1-3,8,13,15,24H,4-7,9-11H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone has a molecular weight of 440.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone is sourced from PubChem (CID 51041349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).