ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate

C19H21NO6S — CID 8633848

IUPACethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C19H21NO6S/c1-4-14-9-15(19(23)25-5-2)18(27-14)20-17(22)11-26-16-7-6-13(24-3)8-12(16)10-21/h6-10H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyXXOCXORJYPSUJD-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.33
Rot. Bonds9

About ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate (PubChem CID 8633848) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
PubChem CID8633848
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Nameethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C19H21NO6S/c1-4-14-9-15(19(23)25-5-2)18(27-14)20-17(22)11-26-16-7-6-13(24-3)8-12(16)10-21/h6-10H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyXXOCXORJYPSUJD-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7763780
ethyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 16521235
ethyl 2-[[2-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 18283317
ethyl 5-ethyl-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46562031
ethyl 5-ethyl-2-[[2-(3-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7865151
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7612207
ethyl 5-ethyl-2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 7225583
ethyl 5-ethyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7505156
ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate (CID 8633848) is ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(OC)cc1C=O.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is XXOCXORJYPSUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-4-14-9-15(19(23)25-5-2)18(27-14)20-17(22)11-26-16-7-6-13(24-3)8-12(16)10-21/h6-10H,4-5,11H2,1-3H3,(H,20,22).
What are the key properties of ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 391.45 g/mol, XLogP of 3.33, 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-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 8633848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).