5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid

C12H19NO6S — CID 104654561

IUPAC5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C12H19NO6S/c1-8(2)7-18-5-4-13-20(16,17)11-6-10(12(14)15)19-9(11)3/h6,8,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyRNMZOUUESKDYEU-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.24
Rot. Bonds8

About 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid

5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 104654561) has the molecular formula C12H19NO6S and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID104654561
Molecular FormulaC12H19NO6S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C12H19NO6S/c1-8(2)7-18-5-4-13-20(16,17)11-6-10(12(14)15)19-9(11)3/h6,8,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyRNMZOUUESKDYEU-UHFFFAOYSA-N
XLogP1.24
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.24
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-(Methylsulfamoyl)furan-2-carboxylic acid
CID 17607422
4-(Chlorosulfonyl)-5-methylfuran-2-carboxylic acid
CID 24688429
5-Methyl-4-(pyrrolidine-1-sulfonyl)furan-2-carboxylic acid
CID 39870862
Methyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 741737
4-(Dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 39733398
Methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate
CID 7954171
Methyl 5-[[2-[(2,3,4-trifluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate
CID 42976882
5-Methyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 55119774
5-Methyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 55119969
5-Methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62804502
5-Methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62804506
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804688

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid (CID 104654561) is 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCOCC(C)C.
What is the InChIKey of 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is RNMZOUUESKDYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S/c1-8(2)7-18-5-4-13-20(16,17)11-6-10(12(14)15)19-9(11)3/h6,8,13H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104654561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).