2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid

C13H21NO5S — CID 63983632

IUPAC2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid
SMILESCCC(C)(C)N(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C13H21NO5S/c1-7-13(4,5)14(6)20(17,18)11-9(3)19-8(2)10(11)12(15)16/h7H2,1-6H3,(H,15,16)
InChIKeyXUKOSMLPGKWWPO-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.40
Rot. Bonds5

About 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 63983632) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid
PubChem CID63983632
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid
SMILESCCC(C)(C)N(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C13H21NO5S/c1-7-13(4,5)14(6)20(17,18)11-9(3)19-8(2)10(11)12(15)16/h7H2,1-6H3,(H,15,16)
InChIKeyXUKOSMLPGKWWPO-UHFFFAOYSA-N
XLogP2.40
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid (CID 63983632) is 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid is CCC(C)(C)N(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is XUKOSMLPGKWWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-7-13(4,5)14(6)20(17,18)11-9(3)19-8(2)10(11)12(15)16/h7H2,1-6H3,(H,15,16).
What are the key properties of 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 63983632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).