ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate

C15H16N2O3S — CID 2220326

IUPACethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccncc1
InChIInChI=1S/C15H16N2O3S/c1-3-11-9-12(15(19)20-4-2)14(21-11)17-13(18)10-5-7-16-8-6-10/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyUULYZBMVSCJOOY-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.13
Rot. Bonds5

About ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate (PubChem CID 2220326) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
PubChem CID2220326
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccncc1
InChIInChI=1S/C15H16N2O3S/c1-3-11-9-12(15(19)20-4-2)14(21-11)17-13(18)10-5-7-16-8-6-10/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyUULYZBMVSCJOOY-UHFFFAOYSA-N
XLogP3.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
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CID 1406514
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
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ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
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CID 106685687
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
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CID 60648647

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate (CID 2220326) is ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1ccncc1.
What is the InChIKey of ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
The InChIKey is UULYZBMVSCJOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-11-9-12(15(19)20-4-2)14(21-11)17-13(18)10-5-7-16-8-6-10/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.13, 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-(pyridine-4-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 2220326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).