ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate

C14H20N2O3S — CID 116658706

IUPACethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)NC1CCC1
InChIInChI=1S/C14H20N2O3S/c1-3-10-8-11(13(17)19-4-2)12(20-10)16-14(18)15-9-6-5-7-9/h8-9H,3-7H2,1-2H3,(H2,15,16,18)
InChIKeyHYLPECOYXQDMBV-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate

ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate (PubChem CID 116658706) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
PubChem CID116658706
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)NC1CCC1
InChIInChI=1S/C14H20N2O3S/c1-3-10-8-11(13(17)19-4-2)12(20-10)16-14(18)15-9-6-5-7-9/h8-9H,3-7H2,1-2H3,(H2,15,16,18)
InChIKeyHYLPECOYXQDMBV-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 64822095
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
CID 55249146
methyl 2-(cyclopentylcarbamothioylamino)-5-ethylthiophene-3-carboxylate
CID 19650420
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
CID 63005194
(2R,3S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520804
ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55739030
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate (CID 116658706) is ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)NC1CCC1.
What is the InChIKey of ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate?
The InChIKey is HYLPECOYXQDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-10-8-11(13(17)19-4-2)12(20-10)16-14(18)15-9-6-5-7-9/h8-9H,3-7H2,1-2H3,(H2,15,16,18).
What are the key properties of ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate?
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 116658706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).