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

C15H15NO4S — CID 17423219

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccsc1
InChIInChI=1S/C15H15NO4S/c1-2-19-13-6-4-3-5-12(13)16-14(17)9-20-15(18)11-7-8-21-10-11/h3-8,10H,2,9H2,1H3,(H,16,17)
InChIKeyXKLXSFUJJLUVPV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.94
Rot. Bonds6

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

[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate (PubChem CID 17423219) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate
PubChem CID17423219
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccsc1
InChIInChI=1S/C15H15NO4S/c1-2-19-13-6-4-3-5-12(13)16-14(17)9-20-15(18)11-7-8-21-10-11/h3-8,10H,2,9H2,1H3,(H,16,17)
InChIKeyXKLXSFUJJLUVPV-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383460
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923
[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860693
[2-(2-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253818
[2-(2-ethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616323
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
CID 7574754
[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544424
[2-(2-ethoxyanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987517
[2-(2-ethoxyanilino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35774318
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate (CID 17423219) is [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1ccsc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate?
The InChIKey is XKLXSFUJJLUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-19-13-6-4-3-5-12(13)16-14(17)9-20-15(18)11-7-8-21-10-11/h3-8,10H,2,9H2,1H3,(H,16,17).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate is sourced from PubChem (CID 17423219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).