methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate

C18H14FNO4S — CID 154862297

IUPACmethyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate
SMILESCOC(=O)C(NC(=O)c1ccc(-c2ccccc2F)o1)c1ccsc1
InChIInChI=1S/C18H14FNO4S/c1-23-18(22)16(11-8-9-25-10-11)20-17(21)15-7-6-14(24-15)12-4-2-3-5-13(12)19/h2-10,16H,1H3,(H,20,21)
InChIKeyZLZQAAYUTAFENM-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.79
Rot. Bonds5

About methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate

methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate (PubChem CID 154862297) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate
PubChem CID154862297
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Namemethyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate
SMILESCOC(=O)C(NC(=O)c1ccc(-c2ccccc2F)o1)c1ccsc1
InChIInChI=1S/C18H14FNO4S/c1-23-18(22)16(11-8-9-25-10-11)20-17(21)15-7-6-14(24-15)12-4-2-3-5-13(12)19/h2-10,16H,1H3,(H,20,21)
InChIKeyZLZQAAYUTAFENM-UHFFFAOYSA-N
XLogP3.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate (CID 154862297) is methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate is COC(=O)C(NC(=O)c1ccc(-c2ccccc2F)o1)c1ccsc1.
What is the InChIKey of methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate?
The InChIKey is ZLZQAAYUTAFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c1-23-18(22)16(11-8-9-25-10-11)20-17(21)15-7-6-14(24-15)12-4-2-3-5-13(12)19/h2-10,16H,1H3,(H,20,21).
What are the key properties of methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate?
methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate has a molecular weight of 359.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate is sourced from PubChem (CID 154862297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).