ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

C15H17NO4S — CID 43408258

IUPACethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1occc1C
InChIInChI=1S/C15H17NO4S/c1-4-10-8-11(15(18)19-5-2)14(21-10)16-13(17)12-9(3)6-7-20-12/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyLQCLAVCXUHWTDP-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.64
Rot. Bonds5

About ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 43408258) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID43408258
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Nameethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1occc1C
InChIInChI=1S/C15H17NO4S/c1-4-10-8-11(15(18)19-5-2)14(21-10)16-13(17)12-9(3)6-7-20-12/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyLQCLAVCXUHWTDP-UHFFFAOYSA-N
XLogP3.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
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-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate (CID 43408258) is ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1occc1C.
What is the InChIKey of ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is LQCLAVCXUHWTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-4-10-8-11(15(18)19-5-2)14(21-10)16-13(17)12-9(3)6-7-20-12/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 43408258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).