ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate

C12H18N2O3S — CID 60648647

IUPACethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CNC
InChIInChI=1S/C12H18N2O3S/c1-4-8-6-9(12(16)17-5-2)11(18-8)14-10(15)7-13-3/h6,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyZLFCFHQDYADSDU-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.65
Rot. Bonds6

About ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate (PubChem CID 60648647) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
PubChem CID60648647
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CNC
InChIInChI=1S/C12H18N2O3S/c1-4-8-6-9(12(16)17-5-2)11(18-8)14-10(15)7-13-3/h6,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyZLFCFHQDYADSDU-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
CID 62834986
ethyl 2-(5-bromopentanoylamino)-5-ethylthiophene-3-carboxylate
CID 107907877
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
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
ethyl 2-[[2-(4-aminobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7781080
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate (CID 60648647) is ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CNC.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ZLFCFHQDYADSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-8-6-9(12(16)17-5-2)11(18-8)14-10(15)7-13-3/h6,13H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 60648647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).