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

C18H16N2O4S — CID 1251376

IUPACethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1cccnc1
InChIInChI=1S/C18H16N2O4S/c1-3-23-18(22)15-13(14-7-6-11(2)24-14)10-25-17(15)20-16(21)12-5-4-8-19-9-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyZHNBNBGWEFEACO-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.14
Rot. Bonds5

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

ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (PubChem CID 1251376) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
PubChem CID1251376
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Nameethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1cccnc1
InChIInChI=1S/C18H16N2O4S/c1-3-23-18(22)15-13(14-7-6-11(2)24-14)10-25-17(15)20-16(21)12-5-4-8-19-9-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyZHNBNBGWEFEACO-UHFFFAOYSA-N
XLogP4.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (CID 1251376) is ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1cccnc1.
What is the InChIKey of ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The InChIKey is ZHNBNBGWEFEACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-3-23-18(22)15-13(14-7-6-11(2)24-14)10-25-17(15)20-16(21)12-5-4-8-19-9-12/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylfuran-2-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1251376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).