[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate

C17H14N2O4S — CID 33457652

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)NC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C17H14N2O4S/c1-19-9-12(11-5-2-3-6-13(11)19)17(22)23-10-15(20)18-16(21)14-7-4-8-24-14/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyLJTKUZGTGBKMAI-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.35
Rot. Bonds4

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate (PubChem CID 33457652) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate
PubChem CID33457652
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)NC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C17H14N2O4S/c1-19-9-12(11-5-2-3-6-13(11)19)17(22)23-10-15(20)18-16(21)14-7-4-8-24-14/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyLJTKUZGTGBKMAI-UHFFFAOYSA-N
XLogP2.35
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 55404137
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817073
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816197
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817230
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816562
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776513
[2-(4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816265
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 55357347
chloro 1-methylindole-3-carboxylate
CID 69132264
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate (CID 33457652) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate is Cn1cc(C(=O)OCC(=O)NC(=O)c2cccs2)c2ccccc21.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate?
The InChIKey is LJTKUZGTGBKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-19-9-12(11-5-2-3-6-13(11)19)17(22)23-10-15(20)18-16(21)14-7-4-8-24-14/h2-9H,10H2,1H3,(H,18,20,21).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 33457652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).