ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate

C14H20N2O3S — CID 63005194

IUPACethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C1CCNC1
InChIInChI=1S/C14H20N2O3S/c1-3-10-7-11(14(18)19-4-2)13(20-10)16-12(17)9-5-6-15-8-9/h7,9,15H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyCKMBKZRQSNQTMY-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.04
Rot. Bonds5

About ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate (PubChem CID 63005194) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
PubChem CID63005194
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C1CCNC1
InChIInChI=1S/C14H20N2O3S/c1-3-10-7-11(14(18)19-4-2)13(20-10)16-12(17)9-5-6-15-8-9/h7,9,15H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyCKMBKZRQSNQTMY-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520804
ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 64822095
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
CID 46095143
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
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-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
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-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate
CID 68904069
(1R,2S,3S,4S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51706337

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate (CID 63005194) is ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)C1CCNC1.
What is the InChIKey of ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate?
The InChIKey is CKMBKZRQSNQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-10-7-11(14(18)19-4-2)13(20-10)16-12(17)9-5-6-15-8-9/h7,9,15H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 63005194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).