3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide

C18H14FNO4S — CID 72717681

IUPAC3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1F
InChIInChI=1S/C18H14FNO4S/c1-23-14-6-4-11(9-13(14)19)18(22)20-10-12-5-7-16(25-12)17(21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,20,22)
InChIKeyVZNWSIJWIYALPZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.65
Rot. Bonds6

About 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide

3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide (PubChem CID 72717681) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide
PubChem CID72717681
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1F
InChIInChI=1S/C18H14FNO4S/c1-23-14-6-4-11(9-13(14)19)18(22)20-10-12-5-7-16(25-12)17(21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,20,22)
InChIKeyVZNWSIJWIYALPZ-UHFFFAOYSA-N
XLogP3.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide (CID 72717681) is 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1F.
What is the InChIKey of 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is VZNWSIJWIYALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c1-23-14-6-4-11(9-13(14)19)18(22)20-10-12-5-7-16(25-12)17(21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide?
3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 359.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 72717681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).