(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

C20H23FN2O5S — CID 92887594

IUPAC(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C20H23FN2O5S/c1-27-16-11-15(12-17(13-16)28-2)22-20(24)19-5-3-4-10-23(19)29(25,26)18-8-6-14(21)7-9-18/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyAXSZISYMKFTGOY-LJQANCHMSA-N
MW422.48 g/mol
LogP3.02
Rot. Bonds6

About (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 92887594) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID92887594
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC Name(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C20H23FN2O5S/c1-27-16-11-15(12-17(13-16)28-2)22-20(24)19-5-3-4-10-23(19)29(25,26)18-8-6-14(21)7-9-18/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyAXSZISYMKFTGOY-LJQANCHMSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468405
(2S)-N-(3,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 26736936
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923894
N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
CID 71305108
(3S)-N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40837264
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (CID 92887594) is (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is COc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc(OC)c1.
What is the InChIKey of (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is AXSZISYMKFTGOY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-27-16-11-15(12-17(13-16)28-2)22-20(24)19-5-3-4-10-23(19)29(25,26)18-8-6-14(21)7-9-18/h6-9,11-13,19H,3-5,10H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 92887594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).