N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C24H23F3N2O4S — CID 16571999

IUPACN-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C24H23F3N2O4S/c25-24(26,27)21-10-4-5-11-22(21)34(31,32)28-14-12-18(13-15-28)23(30)29(17-20-9-6-16-33-20)19-7-2-1-3-8-19/h1-11,16,18H,12-15,17H2
InChIKeyVEUBDXXAWDOOLD-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.93
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 16571999) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID16571999
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC NameN-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C24H23F3N2O4S/c25-24(26,27)21-10-4-5-11-22(21)34(31,32)28-14-12-18(13-15-28)23(30)29(17-20-9-6-16-33-20)19-7-2-1-3-8-19/h1-11,16,18H,12-15,17H2
InChIKeyVEUBDXXAWDOOLD-UHFFFAOYSA-N
XLogP4.93
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 55447623
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
N-(furan-2-ylmethyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 31963917
N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55408979
N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55592026
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
N-(2-anilino-2-oxoethyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46418466
(2-amino-2-oxoethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 2484237
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 16571999) is N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is VEUBDXXAWDOOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c25-24(26,27)21-10-4-5-11-22(21)34(31,32)28-14-12-18(13-15-28)23(30)29(17-20-9-6-16-33-20)19-7-2-1-3-8-19/h1-11,16,18H,12-15,17H2.
What are the key properties of N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16571999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).