3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide

C11H8BrNO3S — CID 58248867

IUPAC3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sccc1Br)c1ccco1
InChIInChI=1S/C11H8BrNO3S/c12-7-3-5-17-10(7)11(15)13-6-8(14)9-2-1-4-16-9/h1-5H,6H2,(H,13,15)
InChIKeyFOJXEOZNDOTBHK-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.72
Rot. Bonds4

About 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide

3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 58248867) has the molecular formula C11H8BrNO3S and a molecular weight of 314.16 g/mol. Its IUPAC name is 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID58248867
Molecular FormulaC11H8BrNO3S
Molecular Weight314.16 g/mol
Exact Mass312.94
IUPAC Name3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sccc1Br)c1ccco1
InChIInChI=1S/C11H8BrNO3S/c12-7-3-5-17-10(7)11(15)13-6-8(14)9-2-1-4-16-9/h1-5H,6H2,(H,13,15)
InChIKeyFOJXEOZNDOTBHK-UHFFFAOYSA-N
XLogP2.72
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 58248867) is 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1sccc1Br)c1ccco1.
What is the InChIKey of 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FOJXEOZNDOTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S/c12-7-3-5-17-10(7)11(15)13-6-8(14)9-2-1-4-16-9/h1-5H,6H2,(H,13,15).
What are the key properties of 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide?
3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 314.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 58248867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).