ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate

C19H19NO6S — CID 2465519

IUPACethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C19H19NO6S/c1-2-25-19(24)13-5-7-14(8-6-13)20-17(22)12-26-18(23)10-9-15(21)16-4-3-11-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyRTUWUXPQIMZBFU-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.07
Rot. Bonds9

About ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate

ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate (PubChem CID 2465519) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
PubChem CID2465519
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Nameethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C19H19NO6S/c1-2-25-19(24)13-5-7-14(8-6-13)20-17(22)12-26-18(23)10-9-15(21)16-4-3-11-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyRTUWUXPQIMZBFU-UHFFFAOYSA-N
XLogP3.07
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate with MolForge

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Related Compounds

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800136
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
[2-(4-methylphenyl)-2-oxoethyl] 4-[[5-oxo-5-(2-oxo-2-thiophen-2-ylethoxy)pentanoyl]amino]benzoate
CID 5189095
ethyl 4-[[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7400180
ethyl 4-[[2-[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxyacetyl]amino]benzoate
CID 8506477
[2-(2-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079
ethyl 4-[(N-methyl-C-thiophen-2-ylcarbonimidoyl)amino]benzoate
CID 8003499
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7891018
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
(1-oxo-1-phenylpropan-2-yl) 4-[[4-oxo-4-(2-oxo-2-thiophen-2-ylethoxy)butanoyl]amino]benzoate
CID 5104878
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate (CID 2465519) is ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate?
The InChIKey is RTUWUXPQIMZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-2-25-19(24)13-5-7-14(8-6-13)20-17(22)12-26-18(23)10-9-15(21)16-4-3-11-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate?
ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate has a molecular weight of 389.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2465519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).