N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C20H29F3N2O6S — CID 51966637

IUPACN-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)[C@@H](C)COC
InChIInChI=1S/C20H29F3N2O6S/c1-15(14-30-3)25(11-12-29-2)19(26)16-7-9-24(10-8-16)32(27,28)18-6-4-5-17(13-18)31-20(21,22)23/h4-6,13,15-16H,7-12,14H2,1-3H3/t15-/m0/s1
InChIKeyRHLROQQFOHUFID-HNNXBMFYSA-N
MW482.52 g/mol
LogP2.50
Rot. Bonds10

About N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 51966637) has the molecular formula C20H29F3N2O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID51966637
Molecular FormulaC20H29F3N2O6S
Molecular Weight482.52 g/mol
Exact Mass482.17
IUPAC NameN-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)[C@@H](C)COC
InChIInChI=1S/C20H29F3N2O6S/c1-15(14-30-3)25(11-12-29-2)19(26)16-7-9-24(10-8-16)32(27,28)18-6-4-5-17(13-18)31-20(21,22)23/h4-6,13,15-16H,7-12,14H2,1-3H3/t15-/m0/s1
InChIKeyRHLROQQFOHUFID-HNNXBMFYSA-N
XLogP2.50
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate
CID 55984933
N-(3,5-dimethylphenyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55917851
N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 52851039
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55665837
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
N-[1-(4-methylphenyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46673499
N-(1-propylpiperidin-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55543864
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 31937683
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
N-[(2,4-dimethylphenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55582473

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 51966637) is N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is COCCN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)[C@@H](C)COC.
What is the InChIKey of N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is RHLROQQFOHUFID-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29F3N2O6S/c1-15(14-30-3)25(11-12-29-2)19(26)16-7-9-24(10-8-16)32(27,28)18-6-4-5-17(13-18)31-20(21,22)23/h4-6,13,15-16H,7-12,14H2,1-3H3/t15-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 2.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51966637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).