[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate

C20H20N2O5S — CID 7492892

IUPAC[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O5S/c1-3-12-9-14(19(24)26-4-2)18(28-12)22-17(23)11-27-20(25)15-10-21-16-8-6-5-7-13(15)16/h5-10,21H,3-4,11H2,1-2H3,(H,22,23)
InChIKeyNHIXKMCHUFTWOF-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.76
Rot. Bonds7

About [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate

[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492892) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492892
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O5S/c1-3-12-9-14(19(24)26-4-2)18(28-12)22-17(23)11-27-20(25)15-10-21-16-8-6-5-7-13(15)16/h5-10,21H,3-4,11H2,1-2H3,(H,22,23)
InChIKeyNHIXKMCHUFTWOF-UHFFFAOYSA-N
XLogP3.76
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981
ethyl 2-[[2-(2,3-dimethylbenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7765167
ethyl 2-[[2-(4-aminobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7781080
ethyl 5-ethyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7505156
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
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 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8644159
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[[2-(3-amino-4-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7764845
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469230

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492892) is [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is NHIXKMCHUFTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-3-12-9-14(19(24)26-4-2)18(28-12)22-17(23)11-27-20(25)15-10-21-16-8-6-5-7-13(15)16/h5-10,21H,3-4,11H2,1-2H3,(H,22,23).
What are the key properties of [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).