ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate

C20H22N2O5S — CID 112771105

IUPACethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)CNC(C)c1ccc(C)o1
InChIInChI=1S/C20H22N2O5S/c1-4-25-20(24)18-14(16-6-5-9-26-16)11-28-19(18)22-17(23)10-21-13(3)15-8-7-12(2)27-15/h5-9,11,13,21H,4,10H2,1-3H3,(H,22,23)
InChIKeyXQDATBAZRVQFMC-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.38
Rot. Bonds8

About ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate

ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate (PubChem CID 112771105) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
PubChem CID112771105
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Nameethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)CNC(C)c1ccc(C)o1
InChIInChI=1S/C20H22N2O5S/c1-4-25-20(24)18-14(16-6-5-9-26-16)11-28-19(18)22-17(23)10-21-13(3)15-8-7-12(2)27-15/h5-9,11,13,21H,4,10H2,1-3H3,(H,22,23)
InChIKeyXQDATBAZRVQFMC-UHFFFAOYSA-N
XLogP4.38
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 8919558
ethyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 55498418
ethyl 4-(furan-2-yl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 55550625
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
ethyl 4-(furan-2-yl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4793962
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
ethyl 4-(furan-2-yl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 7499713
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221
ethyl 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 2488755
ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 2809305
ethyl 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 7834644

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate (CID 112771105) is ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CNC(C)c1ccc(C)o1.
What is the InChIKey of ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is XQDATBAZRVQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-4-25-20(24)18-14(16-6-5-9-26-16)11-28-19(18)22-17(23)10-21-13(3)15-8-7-12(2)27-15/h5-9,11,13,21H,4,10H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 402.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 112771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).