ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate

C20H19N3O5S — CID 18204045

IUPACethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1cnccn1
InChIInChI=1S/C20H19N3O5S/c1-4-28-20(25)18-13(23-19(24)14-11-21-7-8-22-14)10-17(29-18)12-5-6-15(26-2)16(9-12)27-3/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeyNYZRBGIGQZEVSC-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.65
Rot. Bonds7

About ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate

ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 18204045) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate
PubChem CID18204045
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1cnccn1
InChIInChI=1S/C20H19N3O5S/c1-4-28-20(25)18-13(23-19(24)14-11-21-7-8-22-14)10-17(29-18)12-5-6-15(26-2)16(9-12)27-3/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeyNYZRBGIGQZEVSC-UHFFFAOYSA-N
XLogP3.65
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate (CID 18204045) is ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1cnccn1.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is NYZRBGIGQZEVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-4-28-20(25)18-13(23-19(24)14-11-21-7-8-22-14)10-17(29-18)12-5-6-15(26-2)16(9-12)27-3/h5-11H,4H2,1-3H3,(H,23,24).
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate?
ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 413.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 18204045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).