[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C20H24N2O5S2 — CID 2110382

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O5S2/c1-2-22(17-7-4-3-5-8-17)18(23)15-27-20(24)16-10-12-21(13-11-16)29(25,26)19-9-6-14-28-19/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyBECLOAAJCBMPTA-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.75
Rot. Bonds7

About [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 2110382) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID2110382
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O5S2/c1-2-22(17-7-4-3-5-8-17)18(23)15-27-20(24)16-10-12-21(13-11-16)29(25,26)19-9-6-14-28-19/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyBECLOAAJCBMPTA-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-((2-methoxyacetyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate
CID 13653617
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
Aes5epg2RX
CID 14494472
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[4-(N-acetylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
CID 14494470
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
CID 14494476
[4-(N-butanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl butanoate
CID 14494478
[4-[N-(2-methylpropanoyl)anilino]-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl 2-methylpropanoate
CID 14494480
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 14494486
N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
CID 24980486
[2-(3-Acetylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2114248
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435754

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 2110382) is [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is BECLOAAJCBMPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-2-22(17-7-4-3-5-8-17)18(23)15-27-20(24)16-10-12-21(13-11-16)29(25,26)19-9-6-14-28-19/h3-9,14,16H,2,10-13,15H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2110382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).