4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid

C11H17NO6S — CID 62803424

IUPAC4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCCOCCCNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H17NO6S/c1-3-17-6-4-5-12-19(15,16)10-7-9(11(13)14)18-8(10)2/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyHVAPPVRKIKHCQU-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.99
Rot. Bonds8

About 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid

4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid (PubChem CID 62803424) has the molecular formula C11H17NO6S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
PubChem CID62803424
Molecular FormulaC11H17NO6S
Molecular Weight291.33 g/mol
Exact Mass291.08
IUPAC Name4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCCOCCCNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H17NO6S/c1-3-17-6-4-5-12-19(15,16)10-7-9(11(13)14)18-8(10)2/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyHVAPPVRKIKHCQU-UHFFFAOYSA-N
XLogP0.99
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
CID 55119589
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053
5-methyl-4-(pent-3-ynylsulfamoyl)furan-2-carboxylic acid
CID 116642774
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid (CID 62803424) is 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid is CCOCCCNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is HVAPPVRKIKHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c1-3-17-6-4-5-12-19(15,16)10-7-9(11(13)14)18-8(10)2/h7,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62803424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).