ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate

C17H14N2O3S2 — CID 661910

IUPACethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1
InChIInChI=1S/C17H14N2O3S2/c1-2-22-17(21)14-12(13-4-3-9-23-13)10-24-16(14)19-15(20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20)
InChIKeyCAJVGEKDPVOQGR-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.30
Rot. Bonds5

About ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate

ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 661910) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID661910
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Nameethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1
InChIInChI=1S/C17H14N2O3S2/c1-2-22-17(21)14-12(13-4-3-9-23-13)10-24-16(14)19-15(20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20)
InChIKeyCAJVGEKDPVOQGR-UHFFFAOYSA-N
XLogP4.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate (CID 661910) is ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate is CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1.
What is the InChIKey of ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is CAJVGEKDPVOQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-2-22-17(21)14-12(13-4-3-9-23-13)10-24-16(14)19-15(20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate?
ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyridine-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 661910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).