ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate

C20H27F3N2O6S — CID 55984933

IUPACethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)C(C)C
InChIInChI=1S/C20H27F3N2O6S/c1-4-30-18(26)13-25(14(2)3)19(27)15-8-10-24(11-9-15)32(28,29)17-7-5-6-16(12-17)31-20(21,22)23/h5-7,12,14-15H,4,8-11,13H2,1-3H3
InChIKeyRWYCOCBVQLRICN-UHFFFAOYSA-N
MW480.51 g/mol
LogP2.79
Rot. Bonds8

About ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate

ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate (PubChem CID 55984933) has the molecular formula C20H27F3N2O6S and a molecular weight of 480.51 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate
PubChem CID55984933
Molecular FormulaC20H27F3N2O6S
Molecular Weight480.51 g/mol
Exact Mass480.15
IUPAC Nameethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)C(C)C
InChIInChI=1S/C20H27F3N2O6S/c1-4-30-18(26)13-25(14(2)3)19(27)15-8-10-24(11-9-15)32(28,29)17-7-5-6-16(12-17)31-20(21,22)23/h5-7,12,14-15H,4,8-11,13H2,1-3H3
InChIKeyRWYCOCBVQLRICN-UHFFFAOYSA-N
XLogP2.79
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 51966637
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
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
ethyl 2-[[1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 55985189
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55665837
N-[1-(4-methylphenyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46673499
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 31937683
N-(1-propylpiperidin-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55543864
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55796204

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate (CID 55984933) is ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate is CCOC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate?
The InChIKey is RWYCOCBVQLRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O6S/c1-4-30-18(26)13-25(14(2)3)19(27)15-8-10-24(11-9-15)32(28,29)17-7-5-6-16(12-17)31-20(21,22)23/h5-7,12,14-15H,4,8-11,13H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate?
ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate has a molecular weight of 480.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 55984933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).