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

C15H22N2O3S — CID 64822095

IUPACethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C1CCCC1N
InChIInChI=1S/C15H22N2O3S/c1-3-9-8-11(15(19)20-4-2)14(21-9)17-13(18)10-6-5-7-12(10)16/h8,10,12H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyDTWFWCIIOXRJMQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.55
Rot. Bonds5

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

ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 64822095) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID64822095
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C1CCCC1N
InChIInChI=1S/C15H22N2O3S/c1-3-9-8-11(15(19)20-4-2)14(21-9)17-13(18)10-6-5-7-12(10)16/h8,10,12H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyDTWFWCIIOXRJMQ-UHFFFAOYSA-N
XLogP2.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
CID 63005194
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
(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-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
CID 46095143
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
(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 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate (CID 64822095) is ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)C1CCCC1N.
What is the InChIKey of ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is DTWFWCIIOXRJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-9-8-11(15(19)20-4-2)14(21-9)17-13(18)10-6-5-7-12(10)16/h8,10,12H,3-7,16H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 64822095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).