5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid

C12H13NO5S2 — CID 62803418

IUPAC5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C12H13NO5S2/c1-8-11(7-10(18-8)12(14)15)20(16,17)13-5-4-9-3-2-6-19-9/h2-3,6-7,13H,4-5H2,1H3,(H,14,15)
InChIKeyHRHJKVWTRVDRAA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.87
Rot. Bonds6

About 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62803418) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62803418
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C12H13NO5S2/c1-8-11(7-10(18-8)12(14)15)20(16,17)13-5-4-9-3-2-6-19-9/h2-3,6-7,13H,4-5H2,1H3,(H,14,15)
InChIKeyHRHJKVWTRVDRAA-UHFFFAOYSA-N
XLogP1.87
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-[(2-thiophen-2-ylethylamino)methyl]furan-2-carboxylic acid
CID 103235548
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid (CID 62803418) is 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is HRHJKVWTRVDRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-8-11(7-10(18-8)12(14)15)20(16,17)13-5-4-9-3-2-6-19-9/h2-3,6-7,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62803418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).