[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

C24H28N2O6S — CID 42978014

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)C2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C24H28N2O6S/c1-3-18-7-6-8-20(15-18)25-23(28)16-32-24(29)22-9-4-5-14-26(22)33(30,31)21-12-10-19(11-13-21)17(2)27/h6-8,10-13,15,22H,3-5,9,14,16H2,1-2H3,(H,25,28)
InChIKeyWTRPVOQOJQOWAB-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.18
Rot. Bonds8

About [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 42978014) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID42978014
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)C2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C24H28N2O6S/c1-3-18-7-6-8-20(15-18)25-23(28)16-32-24(29)22-9-4-5-14-26(22)33(30,31)21-12-10-19(11-13-21)17(2)27/h6-8,10-13,15,22H,3-5,9,14,16H2,1-2H3,(H,25,28)
InChIKeyWTRPVOQOJQOWAB-UHFFFAOYSA-N
XLogP3.18
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55467473
(3-chlorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42986824
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
CID 92887782
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55310667
[2-(3-fluoroanilino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 4802676
methyl (2R)-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836498
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55310662
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
(4-nitrophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42990335
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55310683

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate (CID 42978014) is [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate is CCc1cccc(NC(=O)COC(=O)C2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is WTRPVOQOJQOWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-3-18-7-6-8-20(15-18)25-23(28)16-32-24(29)22-9-4-5-14-26(22)33(30,31)21-12-10-19(11-13-21)17(2)27/h6-8,10-13,15,22H,3-5,9,14,16H2,1-2H3,(H,25,28).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 472.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 42978014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).