methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate

C18H15NO4S — CID 2766430

IUPACmethyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C18H15NO4S/c1-22-18(21)16-13(9-10-24-16)14-7-8-15(23-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyFCEIMMQGXAHBGS-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.72
Rot. Bonds5

About methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate

methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate (PubChem CID 2766430) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
PubChem CID2766430
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Namemethyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C18H15NO4S/c1-22-18(21)16-13(9-10-24-16)14-7-8-15(23-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyFCEIMMQGXAHBGS-UHFFFAOYSA-N
XLogP3.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate (CID 2766430) is methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(C(=O)NCc2ccccc2)o1.
What is the InChIKey of methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
The InChIKey is FCEIMMQGXAHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-22-18(21)16-13(9-10-24-16)14-7-8-15(23-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2766430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).