ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate

C23H25NO7S — CID 3336683

IUPACethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)sc(C)c1CC
InChIInChI=1S/C23H25NO7S/c1-5-16-13(3)32-22(21(16)23(27)29-6-2)24-19(25)12-31-20(26)9-14-11-30-18-10-15(28-4)7-8-17(14)18/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,24,25)
InChIKeyXYTJDXZRNKUNAB-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.27
Rot. Bonds9

About ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate

ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 3336683) has the molecular formula C23H25NO7S and a molecular weight of 459.52 g/mol. Its IUPAC name is ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID3336683
Molecular FormulaC23H25NO7S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC Nameethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)sc(C)c1CC
InChIInChI=1S/C23H25NO7S/c1-5-16-13(3)32-22(21(16)23(27)29-6-2)24-19(25)12-31-20(26)9-14-11-30-18-10-15(28-4)7-8-17(14)18/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,24,25)
InChIKeyXYTJDXZRNKUNAB-UHFFFAOYSA-N
XLogP4.27
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate with MolForge

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538727
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
ethyl 5-acetyl-2-[[2-(5-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 18860822
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902191
diethyl 5-[[2-(5-methoxy-1-benzofuran-3-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 18860820
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4210410
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46806072
ethyl 4-ethyl-5-methyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 3999257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate (CID 3336683) is ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is XYTJDXZRNKUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7S/c1-5-16-13(3)32-22(21(16)23(27)29-6-2)24-19(25)12-31-20(26)9-14-11-30-18-10-15(28-4)7-8-17(14)18/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,24,25).
What are the key properties of ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 459.52 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-[[2-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 3336683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).