[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C18H19NO4S — CID 2367156

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H19NO4S/c1-2-19(14-7-4-3-5-8-14)17(21)13-23-18(22)11-10-15(20)16-9-6-12-24-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyZABCEUNEOOLXQC-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.31
Rot. Bonds8

About [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2367156) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2367156
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H19NO4S/c1-2-19(14-7-4-3-5-8-14)17(21)13-23-18(22)11-10-15(20)16-9-6-12-24-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyZABCEUNEOOLXQC-UHFFFAOYSA-N
XLogP3.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
propyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78788503
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397454
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
benzyl 4-oxo-4-thiophen-2-ylbutanoate
CID 2358378
[2-(N-ethylanilino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46640401
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
[2-(benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40781183
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2367156) is [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is CCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is ZABCEUNEOOLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-19(14-7-4-3-5-8-14)17(21)13-23-18(22)11-10-15(20)16-9-6-12-24-16/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 345.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2367156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).