[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C20H24N2O5S2 — CID 2435701

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-4-6-16(7-5-15)13-21-18(23)14-27-20(24)17-8-10-22(11-9-17)29(25,26)19-3-2-12-28-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,23)
InChIKeyWFTTVUDVPXYTNW-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.32
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 2435701) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID2435701
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-4-6-16(7-5-15)13-21-18(23)14-27-20(24)17-8-10-22(11-9-17)29(25,26)19-3-2-12-28-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,23)
InChIKeyWFTTVUDVPXYTNW-UHFFFAOYSA-N
XLogP2.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4373090
N-butyloxycarbonyl-3-[4-(N-acetyl-aminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
CID 9934254
N1-(4-methylbenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561600
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980169
N-(4-methylbenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 4810492
[2-(Benzylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2436426
[2-[Benzyl(methyl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2642021
Ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2813582
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561598
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 24982549
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6217919

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 2435701) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is Cc1ccc(CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is WFTTVUDVPXYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-15-4-6-16(7-5-15)13-21-18(23)14-27-20(24)17-8-10-22(11-9-17)29(25,26)19-3-2-12-28-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,23).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2435701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).