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

C19H16N2O3S — CID 1182635

IUPACethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccncc1
InChIInChI=1S/C19H16N2O3S/c1-2-24-19(23)15-12-16(13-6-4-3-5-7-13)25-18(15)21-17(22)14-8-10-20-11-9-14/h3-12H,2H2,1H3,(H,21,22)
InChIKeyASGSYZQBZPALGF-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.24
Rot. Bonds5

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

ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate (PubChem CID 1182635) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
PubChem CID1182635
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Nameethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccncc1
InChIInChI=1S/C19H16N2O3S/c1-2-24-19(23)15-12-16(13-6-4-3-5-7-13)25-18(15)21-17(22)14-8-10-20-11-9-14/h3-12H,2H2,1H3,(H,21,22)
InChIKeyASGSYZQBZPALGF-UHFFFAOYSA-N
XLogP4.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate (CID 1182635) is ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccncc1.
What is the InChIKey of ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
The InChIKey is ASGSYZQBZPALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-2-24-19(23)15-12-16(13-6-4-3-5-7-13)25-18(15)21-17(22)14-8-10-20-11-9-14/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate?
ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate has a molecular weight of 352.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1182635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).