[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate

C15H15NO3S — CID 8630914

IUPAC[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C15H15NO3S/c1-2-11-5-3-6-12(9-11)16-14(17)10-19-15(18)13-7-4-8-20-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyNLBYNTUXWLWBRY-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.11
Rot. Bonds5

About [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 8630914) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID8630914
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C15H15NO3S/c1-2-11-5-3-6-12(9-11)16-14(17)10-19-15(18)13-7-4-8-20-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyNLBYNTUXWLWBRY-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46818777
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
[2-(3-ethylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 51504438
[2-(3,4-difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501317
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
ethyl 5-ethyl-4-methyl-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
CID 8631421
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] thiophene-2-carboxylate
CID 4597016
[2-oxo-2-(2-propan-2-ylanilino)ethyl] thiophene-2-carboxylate
CID 725009

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 8630914) is [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate is CCc1cccc(NC(=O)COC(=O)c2cccs2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is NLBYNTUXWLWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-11-5-3-6-12(9-11)16-14(17)10-19-15(18)13-7-4-8-20-13/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 8630914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).