ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

C19H19N3O5S — CID 60589909

IUPACethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C19H19N3O5S/c1-3-13-10-14(18(24)26-4-2)17(28-13)20-15(23)11-22-16(21-27-19(22)25)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyYQGAYSOYHGJEFO-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.94
Rot. Bonds7

About ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 60589909) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID60589909
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Nameethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C19H19N3O5S/c1-3-13-10-14(18(24)26-4-2)17(28-13)20-15(23)11-22-16(21-27-19(22)25)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,20,23)
InChIKeyYQGAYSOYHGJEFO-UHFFFAOYSA-N
XLogP2.94
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-ethyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 19727969
ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 18075486
N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-(5-bromopentanoylamino)-5-ethylthiophene-3-carboxylate
CID 107907877
ethyl 5-ethyl-2-[(2-phenylsulfanylacetyl)carbamothioylamino]thiophene-3-carboxylate
CID 2195901
ethyl 2-[[2-[2-(benzylcarbamoylamino)acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 46660647
ethyl 5-ethyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 19644060

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (CID 60589909) is ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(-c2ccccc2)noc1=O.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is YQGAYSOYHGJEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-13-10-14(18(24)26-4-2)17(28-13)20-15(23)11-22-16(21-27-19(22)25)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,20,23).
What are the key properties of ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 60589909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).