ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate

C16H23NO3S — CID 60629911

IUPACethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-3-12-10-13(16(19)20-4-2)15(21-12)17-14(18)9-11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyOSOCLDFXVVHOOP-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.01
Rot. Bonds6

About ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 60629911) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID60629911
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-3-12-10-13(16(19)20-4-2)15(21-12)17-14(18)9-11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyOSOCLDFXVVHOOP-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-cyclohexylacetyl)amino]-5-[(1,3-dioxoisoindol-2-yl)methyl]thiophene-3-carboxylate
CID 110496186
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
CID 62834986
ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 64822095
ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
CID 63005194
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 2-[[2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 55546453
(2R,3S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520804
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate (CID 60629911) is ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CC1CCCC1.
What is the InChIKey of ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is OSOCLDFXVVHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-12-10-13(16(19)20-4-2)15(21-12)17-14(18)9-11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 60629911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).