ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate

C15H23NO3S — CID 114875722

IUPACethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CC(C)CC
InChIInChI=1S/C15H23NO3S/c1-5-10(4)8-13(17)16-14-12(15(18)19-7-3)9-11(6-2)20-14/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyLGMPMYHBPURDAW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.86
Rot. Bonds7

About ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate (PubChem CID 114875722) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
PubChem CID114875722
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CC(C)CC
InChIInChI=1S/C15H23NO3S/c1-5-10(4)8-13(17)16-14-12(15(18)19-7-3)9-11(6-2)20-14/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyLGMPMYHBPURDAW-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
CID 62834986
ethyl 2-(5-bromopentanoylamino)-5-ethylthiophene-3-carboxylate
CID 107907877
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-ethylthiophene-3-carboxylate
CID 65229431
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate (CID 114875722) is ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CC(C)CC.
What is the InChIKey of ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate?
The InChIKey is LGMPMYHBPURDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-10(4)8-13(17)16-14-12(15(18)19-7-3)9-11(6-2)20-14/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 114875722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).