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

C17H17NO5S — CID 7799286

IUPACethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H17NO5S/c1-2-22-17(21)12-5-7-13(8-6-12)18-15(19)11-23-16(20)10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyACKGGCDHRUKMGR-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.65
Rot. Bonds7

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

ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate (PubChem CID 7799286) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
PubChem CID7799286
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Nameethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H17NO5S/c1-2-22-17(21)12-5-7-13(8-6-12)18-15(19)11-23-16(20)10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyACKGGCDHRUKMGR-UHFFFAOYSA-N
XLogP2.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7798928
[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
ethyl 4-[[2-[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxyacetyl]amino]benzoate
CID 8506477
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799163
ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
CID 2465519
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7767309
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798834
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
CID 7799166
ethyl 5-phenyl-3-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]thiophene-2-carboxylate
CID 18267403

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate (CID 7799286) is ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1.
What is the InChIKey of ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate?
The InChIKey is ACKGGCDHRUKMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-2-22-17(21)12-5-7-13(8-6-12)18-15(19)11-23-16(20)10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate?
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate has a molecular weight of 347.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7799286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).