[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

C26H29N3O5S — CID 24593960

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3cccc4ncccc34)CC2)c(C)c1
InChIInChI=1S/C26H29N3O5S/c1-17-14-18(2)25(19(3)15-17)35(32,33)29-12-9-20(10-13-29)26(31)34-16-24(30)28-23-8-4-7-22-21(23)6-5-11-27-22/h4-8,11,14-15,20H,9-10,12-13,16H2,1-3H3,(H,28,30)
InChIKeyWFFDPRLUUBQBMD-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.74
Rot. Bonds6

About [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24593960) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24593960
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3cccc4ncccc34)CC2)c(C)c1
InChIInChI=1S/C26H29N3O5S/c1-17-14-18(2)25(19(3)15-17)35(32,33)29-12-9-20(10-13-29)26(31)34-16-24(30)28-23-8-4-7-22-21(23)6-5-11-27-22/h4-8,11,14-15,20H,9-10,12-13,16H2,1-3H3,(H,28,30)
InChIKeyWFFDPRLUUBQBMD-UHFFFAOYSA-N
XLogP3.74
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 42977540
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 46611961
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150745
[2-(2-acetylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150970
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739812
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150714
N-(pyridin-2-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27554188
N-(2-propoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26897762
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate
CID 16592262
[2-oxo-2-(quinolin-5-ylamino)ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 29439862

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate (CID 24593960) is [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3cccc4ncccc34)CC2)c(C)c1.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is WFFDPRLUUBQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-17-14-18(2)25(19(3)15-17)35(32,33)29-12-9-20(10-13-29)26(31)34-16-24(30)28-23-8-4-7-22-21(23)6-5-11-27-22/h4-8,11,14-15,20H,9-10,12-13,16H2,1-3H3,(H,28,30).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 495.60 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24593960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).