[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C19H17N3O6S — CID 7950235

IUPAC[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C19H17N3O6S/c1-3-26-19(25)16-12(14-5-4-6-27-14)10-29-17(16)22-15(23)9-28-18(24)13-8-20-11(2)7-21-13/h4-8,10H,3,9H2,1-2H3,(H,22,23)
InChIKeyIZTQKVFAXJVDGG-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.08
Rot. Bonds7

About [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950235) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7950235
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC Name[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C19H17N3O6S/c1-3-26-19(25)16-12(14-5-4-6-27-14)10-29-17(16)22-15(23)9-28-18(24)13-8-20-11(2)7-21-13/h4-8,10H,3,9H2,1-2H3,(H,22,23)
InChIKeyIZTQKVFAXJVDGG-UHFFFAOYSA-N
XLogP3.08
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7950235) is [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is IZTQKVFAXJVDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c1-3-26-19(25)16-12(14-5-4-6-27-14)10-29-17(16)22-15(23)9-28-18(24)13-8-20-11(2)7-21-13/h4-8,10H,3,9H2,1-2H3,(H,22,23).
What are the key properties of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 415.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).