ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate

C19H21NO6S — CID 7696881

IUPACethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)COc1ccccc1
InChIInChI=1S/C19H21NO6S/c1-3-14-10-15(19(23)24-4-2)18(27-14)20-16(21)11-26-17(22)12-25-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyMCOZLGSWCWQRHX-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.05
Rot. Bonds9

About ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 7696881) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID7696881
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Nameethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)COc1ccccc1
InChIInChI=1S/C19H21NO6S/c1-3-14-10-15(19(23)24-4-2)18(27-14)20-16(21)11-26-17(22)12-25-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyMCOZLGSWCWQRHX-UHFFFAOYSA-N
XLogP3.05
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate (CID 7696881) is ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)COc1ccccc1.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is MCOZLGSWCWQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-3-14-10-15(19(23)24-4-2)18(27-14)20-16(21)11-26-17(22)12-25-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 391.45 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7696881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).