N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C23H23F3N2O5S — CID 46642653

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H23F3N2O5S/c1-15(21-13-17-5-2-3-8-20(17)32-21)27-22(29)16-9-11-28(12-10-16)34(30,31)19-7-4-6-18(14-19)33-23(24,25)26/h2-8,13-16H,9-12H2,1H3,(H,27,29)
InChIKeyAYBXEZQSKJKXTE-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.61
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 46642653) has the molecular formula C23H23F3N2O5S and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID46642653
Molecular FormulaC23H23F3N2O5S
Molecular Weight496.51 g/mol
Exact Mass496.13
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H23F3N2O5S/c1-15(21-13-17-5-2-3-8-20(17)32-21)27-22(29)16-9-11-28(12-10-16)34(30,31)19-7-4-6-18(14-19)33-23(24,25)26/h2-8,13-16H,9-12H2,1H3,(H,27,29)
InChIKeyAYBXEZQSKJKXTE-UHFFFAOYSA-N
XLogP4.61
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[1-(1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 55389739
N-[1-(4-methylphenyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46673499
methyl 2-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 39966547
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55665837
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
N-pyridin-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25332101
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642629
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 46642653) is N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is AYBXEZQSKJKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O5S/c1-15(21-13-17-5-2-3-8-20(17)32-21)27-22(29)16-9-11-28(12-10-16)34(30,31)19-7-4-6-18(14-19)33-23(24,25)26/h2-8,13-16H,9-12H2,1H3,(H,27,29).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46642653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).