5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid

C11H15NO7S — CID 60951869

IUPAC5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO7S/c1-7(2)12(6-9(13)18-3)20(16,17)10-5-4-8(19-10)11(14)15/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyLFZVMURGGILVHD-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.55
Rot. Bonds6

About 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid

5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid (PubChem CID 60951869) has the molecular formula C11H15NO7S and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
PubChem CID60951869
Molecular FormulaC11H15NO7S
Molecular Weight305.31 g/mol
Exact Mass305.06
IUPAC Name5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO7S/c1-7(2)12(6-9(13)18-3)20(16,17)10-5-4-8(19-10)11(14)15/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyLFZVMURGGILVHD-UHFFFAOYSA-N
XLogP0.55
TPSA114.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid (CID 60951869) is 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid is COC(=O)CN(C(C)C)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is LFZVMURGGILVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S/c1-7(2)12(6-9(13)18-3)20(16,17)10-5-4-8(19-10)11(14)15/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid?
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60951869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).