4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid

C11H15NO7S — CID 62805395

IUPAC4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H15NO7S/c1-4-18-10(13)6-12(3)20(16,17)9-5-8(11(14)15)19-7(9)2/h5H,4,6H2,1-3H3,(H,14,15)
InChIKeyYVLXWLQZMNLUFI-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.47
Rot. Bonds6

About 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62805395) has the molecular formula C11H15NO7S and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62805395
Molecular FormulaC11H15NO7S
Molecular Weight305.31 g/mol
Exact Mass305.06
IUPAC Name4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H15NO7S/c1-4-18-10(13)6-12(3)20(16,17)9-5-8(11(14)15)19-7(9)2/h5H,4,6H2,1-3H3,(H,14,15)
InChIKeyYVLXWLQZMNLUFI-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62805395) is 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid is CCOC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is YVLXWLQZMNLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S/c1-4-18-10(13)6-12(3)20(16,17)9-5-8(11(14)15)19-7(9)2/h5H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62805395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).