N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

C20H20F2N2O3S — CID 76859981

IUPACN-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O3S/c21-17-7-4-8-18(22)19(17)23-20(25)16-9-12-24(13-10-16)28(26,27)14-11-15-5-2-1-3-6-15/h1-8,11,14,16H,9-10,12-13H2,(H,23,25)
InChIKeyROXDBNHWXSAJIB-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.62
Rot. Bonds5

About N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (PubChem CID 76859981) has the molecular formula C20H20F2N2O3S and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
PubChem CID76859981
Molecular FormulaC20H20F2N2O3S
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC NameN-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O3S/c21-17-7-4-8-18(22)19(17)23-20(25)16-9-12-24(13-10-16)28(26,27)14-11-15-5-2-1-3-6-15/h1-8,11,14,16H,9-10,12-13H2,(H,23,25)
InChIKeyROXDBNHWXSAJIB-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 146443143
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55811905
N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
methyl 4,5-dimethyl-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 16550370
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 75128814
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (CID 76859981) is N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The InChIKey is ROXDBNHWXSAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3S/c21-17-7-4-8-18(22)19(17)23-20(25)16-9-12-24(13-10-16)28(26,27)14-11-15-5-2-1-3-6-15/h1-8,11,14,16H,9-10,12-13H2,(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 76859981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).