ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate

C24H24N2O7S — CID 55547524

IUPACethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C(NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C24H24N2O7S/c1-3-16-13-17(23(29)31-4-2)22(34-16)25-19(27)14-33-24(30)20(15-9-6-5-7-10-15)26-21(28)18-11-8-12-32-18/h5-13,20H,3-4,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVTHDOKNDVZHMHE-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.73
Rot. Bonds10

About ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 55547524) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID55547524
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Nameethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C(NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C24H24N2O7S/c1-3-16-13-17(23(29)31-4-2)22(34-16)25-19(27)14-33-24(30)20(15-9-6-5-7-10-15)26-21(28)18-11-8-12-32-18/h5-13,20H,3-4,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVTHDOKNDVZHMHE-UHFFFAOYSA-N
XLogP3.73
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755025
ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
ethyl 5-ethyl-2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7852209
ethyl 2-[[2-[2-(benzylcarbamoylamino)acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 46660647
ethyl 5-ethyl-2-[[2-(1-phenylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 8587247
ethyl 2-[[2-(2,3-dimethylbenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7765167
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
CID 55547063
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492892
ethyl 5-benzyl-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 46094993
ethyl 2-[[2-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 18283317
ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 3914657

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 55547524) is ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C(NC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is VTHDOKNDVZHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-3-16-13-17(23(29)31-4-2)22(34-16)25-19(27)14-33-24(30)20(15-9-6-5-7-10-15)26-21(28)18-11-8-12-32-18/h5-13,20H,3-4,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 484.53 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55547524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).