(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid

C22H26F3N3O5S — CID 53488267

IUPAC(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H25N3O3S.C2HF3O2/c1-3-16-7-6-9-19(21-16)22-20(24)18-8-4-5-14-23(18)27(25,26)17-12-10-15(2)11-13-17;3-2(4,5)1(6)7/h6-7,9-13,18H,3-5,8,14H2,1-2H3,(H,21,22,24);(H,6,7)/t18-;/m1./s1
InChIKeyOZUKPPUICXREBC-GMUIIQOCSA-N
MW501.53 g/mol
LogP3.77
Rot. Bonds5

About (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53488267) has the molecular formula C22H26F3N3O5S and a molecular weight of 501.53 g/mol. Its IUPAC name is (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID53488267
Molecular FormulaC22H26F3N3O5S
Molecular Weight501.53 g/mol
Exact Mass501.15
IUPAC Name(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H25N3O3S.C2HF3O2/c1-3-16-7-6-9-19(21-16)22-20(24)18-8-4-5-14-23(18)27(25,26)17-12-10-15(2)11-13-17;3-2(4,5)1(6)7/h6-7,9-13,18H,3-5,8,14H2,1-2H3,(H,21,22,24);(H,6,7)/t18-;/m1./s1
InChIKeyOZUKPPUICXREBC-GMUIIQOCSA-N
XLogP3.77
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 25381432
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644
(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-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(benzenesulfonyl)-N-(2-ethyl-6-methylphenyl)piperidine-2-carboxamide
CID 5003756
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
(2S)-1-(4-methylphenyl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 32947927
1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 159988634
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 53488267) is (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid is CCc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OZUKPPUICXREBC-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H25N3O3S.C2HF3O2/c1-3-16-7-6-9-19(21-16)22-20(24)18-8-4-5-14-23(18)27(25,26)17-12-10-15(2)11-13-17;3-2(4,5)1(6)7/h6-7,9-13,18H,3-5,8,14H2,1-2H3,(H,21,22,24);(H,6,7)/t18-;/m1./s1.
What are the key properties of (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 501.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53488267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).