4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C13H21NO5S — CID 79477863

IUPAC4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C13H21NO5S/c1-5-9(3)8-14(6-2)20(17,18)12-7-11(13(15)16)19-10(12)4/h7,9H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyJAXJBZBHEUHBJN-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.34
Rot. Bonds7

About 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 79477863) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID79477863
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C13H21NO5S/c1-5-9(3)8-14(6-2)20(17,18)12-7-11(13(15)16)19-10(12)4/h7,9H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyJAXJBZBHEUHBJN-UHFFFAOYSA-N
XLogP2.34
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 79477863) is 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is CCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is JAXJBZBHEUHBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-5-9(3)8-14(6-2)20(17,18)12-7-11(13(15)16)19-10(12)4/h7,9H,5-6,8H2,1-4H3,(H,15,16).
What are the key properties of 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 79477863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).