N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C23H20F4N2O4S — CID 55889356

IUPACN-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C23H20F4N2O4S/c24-16-4-6-21(20(27)12-16)29(14-18-2-1-11-33-18)23(30)15-7-9-28(10-8-15)34(31,32)22-13-17(25)3-5-19(22)26/h1-6,11-13,15H,7-10,14H2
InChIKeyFSEFXNHMKUHELC-UHFFFAOYSA-N
MW496.48 g/mol
LogP4.47
Rot. Bonds6

About N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55889356) has the molecular formula C23H20F4N2O4S and a molecular weight of 496.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55889356
Molecular FormulaC23H20F4N2O4S
Molecular Weight496.48 g/mol
Exact Mass496.11
IUPAC NameN-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C23H20F4N2O4S/c24-16-4-6-21(20(27)12-16)29(14-18-2-1-11-33-18)23(30)15-7-9-28(10-8-15)34(31,32)22-13-17(25)3-5-19(22)26/h1-6,11-13,15H,7-10,14H2
InChIKeyFSEFXNHMKUHELC-UHFFFAOYSA-N
XLogP4.47
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 16571999
1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 55447623
1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134058743
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935170
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 55918606
N-(furan-2-ylmethyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 31963917
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 75416181
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 55388525
N-(2,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 55889353

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 55889356) is N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N(Cc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FSEFXNHMKUHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O4S/c24-16-4-6-21(20(27)12-16)29(14-18-2-1-11-33-18)23(30)15-7-9-28(10-8-15)34(31,32)22-13-17(25)3-5-19(22)26/h1-6,11-13,15H,7-10,14H2.
What are the key properties of N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 496.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55889356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).