4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

C14H19NO5S — CID 61482264

IUPAC4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC(C2CC2)C2CC2)c1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-7-11(14(16)17)13(8(2)20-7)21(18,19)15-12(9-3-4-9)10-5-6-10/h9-10,12,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyNRMSHIYKFQSWFM-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.06
Rot. Bonds6

About 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid

4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 61482264) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
PubChem CID61482264
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC(C2CC2)C2CC2)c1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-7-11(14(16)17)13(8(2)20-7)21(18,19)15-12(9-3-4-9)10-5-6-10/h9-10,12,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyNRMSHIYKFQSWFM-UHFFFAOYSA-N
XLogP2.06
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[(tert-butylamino)sulfonyl]-2,5-dimethyl-3-furoate
CID 2742994
Methyl 4-{[(cyclopropylmethyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2809994
Methyl 4-{[cyclohexyl(methyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2814176
2,5-Dimethyl-4-sulfamoylfuran-3-carboxylic acid
CID 39870159
Methyl 4-(cyclododecylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 2809991
2,5-Dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid
CID 43137832
2,5-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid
CID 60892908
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 61605696
2,5-Dimethyl-4-(3,3,3-trifluoropropylsulfamoyl)furan-3-carboxylic acid
CID 63226043
2,5-Dimethyl-4-[methyl(3,3,3-trifluoropropyl)sulfamoyl]furan-3-carboxylic acid
CID 65533258
4-[2-(2,2-Difluoroethoxy)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 103091335
2,5-Dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]furan-3-carboxylic acid
CID 105642687

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid (CID 61482264) is 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NC(C2CC2)C2CC2)c1C(=O)O.
What is the InChIKey of 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is NRMSHIYKFQSWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-7-11(14(16)17)13(8(2)20-7)21(18,19)15-12(9-3-4-9)10-5-6-10/h9-10,12,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid?
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 61482264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).