ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate

C20H27NO5S — CID 18556594

IUPACethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C20H27NO5S/c1-3-15-10-16(20(24)25-4-2)19(27-15)21-17(22)11-26-18(23)9-14-8-12-5-6-13(14)7-12/h10,12-14H,3-9,11H2,1-2H3,(H,21,22)/t12-,13-,14-/m1/s1
InChIKeyWNYYPKSDXIQLMF-MGPQQGTHSA-N
MW393.51 g/mol
LogP3.80
Rot. Bonds8

About ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate (PubChem CID 18556594) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
PubChem CID18556594
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC Nameethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C20H27NO5S/c1-3-15-10-16(20(24)25-4-2)19(27-15)21-17(22)11-26-18(23)9-14-8-12-5-6-13(14)7-12/h10,12-14H,3-9,11H2,1-2H3,(H,21,22)/t12-,13-,14-/m1/s1
InChIKeyWNYYPKSDXIQLMF-MGPQQGTHSA-N
XLogP3.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 63615849
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
ethyl (6R)-2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 98412815
(2R,3S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520804
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932843
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[[2-(4-aminobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7781080
ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981
ethyl 5-ethyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7505156
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23765081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate (CID 18556594) is ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is WNYYPKSDXIQLMF-MGPQQGTHSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-3-15-10-16(20(24)25-4-2)19(27-15)21-17(22)11-26-18(23)9-14-8-12-5-6-13(14)7-12/h10,12-14H,3-9,11H2,1-2H3,(H,21,22)/t12-,13-,14-/m1/s1.
What are the key properties of ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 393.51 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 18556594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).