[2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C20H24N2O5S2 — CID 2642021

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H24N2O5S2/c1-21(14-16-6-3-2-4-7-16)18(23)15-27-20(24)17-9-11-22(12-10-17)29(25,26)19-8-5-13-28-19/h2-8,13,17H,9-12,14-15H2,1H3
InChIKeyIJKKDXKPYFMIOC-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.35
Rot. Bonds7

About [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 2642021) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID2642021
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H24N2O5S2/c1-21(14-16-6-3-2-4-7-16)18(23)15-27-20(24)17-9-11-22(12-10-17)29(25,26)19-8-5-13-28-19/h2-8,13,17H,9-12,14-15H2,1H3
InChIKeyIJKKDXKPYFMIOC-UHFFFAOYSA-N
XLogP2.35
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[[3-[2-(butoxycarbonylsulfamoyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl-methylamino]-2-oxoacetate
CID 68949833
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435701
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2367176
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2367632
[2-(Benzylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2436426
Ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2813582
N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980999
N-benzyl-N-(2-methoxyethyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 25162529
N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 71737582
[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2110382

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 2642021) is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is IJKKDXKPYFMIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-21(14-16-6-3-2-4-7-16)18(23)15-27-20(24)17-9-11-22(12-10-17)29(25,26)19-8-5-13-28-19/h2-8,13,17H,9-12,14-15H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2642021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).