ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate

C18H20FNO4S — CID 43008127

IUPACethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-4-14-10-15(18(22)23-5-2)17(25-14)20-16(21)11(3)24-13-8-6-12(19)7-9-13/h6-11H,4-5H2,1-3H3,(H,20,21)
InChIKeyLPBSCILUVIDAKM-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.03
Rot. Bonds7

About ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate (PubChem CID 43008127) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate
PubChem CID43008127
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Nameethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-4-14-10-15(18(22)23-5-2)17(25-14)20-16(21)11(3)24-13-8-6-12(19)7-9-13/h6-11H,4-5H2,1-3H3,(H,20,21)
InChIKeyLPBSCILUVIDAKM-UHFFFAOYSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
diethyl 5-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1044867
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-ethylthiophene-3-carboxylate
CID 65229431
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41141927
ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 46436028
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate (CID 43008127) is ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate?
The InChIKey is LPBSCILUVIDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-4-14-10-15(18(22)23-5-2)17(25-14)20-16(21)11(3)24-13-8-6-12(19)7-9-13/h6-11H,4-5H2,1-3H3,(H,20,21).
What are the key properties of ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 43008127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).