ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate

C14H22N2O3S — CID 62834986

IUPACethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
SMILESCCNCCC(=O)Nc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C14H22N2O3S/c1-4-10-9-11(14(18)19-6-3)13(20-10)16-12(17)7-8-15-5-2/h9,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyWPJVAORBQYSHTH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.43
Rot. Bonds8

About ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate (PubChem CID 62834986) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
PubChem CID62834986
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
SMILESCCNCCC(=O)Nc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C14H22N2O3S/c1-4-10-9-11(14(18)19-6-3)13(20-10)16-12(17)7-8-15-5-2/h9,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyWPJVAORBQYSHTH-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-(5-bromopentanoylamino)-5-ethylthiophene-3-carboxylate
CID 107907877
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethylthiophene-3-carboxylate
CID 19221299
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
CID 63531002
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-5-ethylthiophene-3-carboxylate
CID 39966286
ethyl 5-ethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]thiophene-3-carboxylate
CID 51294975

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate (CID 62834986) is ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate is CCNCCC(=O)Nc1sc(CC)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate?
The InChIKey is WPJVAORBQYSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10-9-11(14(18)19-6-3)13(20-10)16-12(17)7-8-15-5-2/h9,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 62834986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).