2,5-Dimethyl-4-(((2-thienylmethyl)amino)sulfonyl)-3-furancarboxylic acid

C12H13NO5S2CAS 306936-40-3315.36 g/mol

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OSOONHSOOH
Carboxylic acidSulfonamide

Properties

Molecular formula
C12H13NO5S2
Molar mass
315.36 g/mol
Exact mass
315.0235 Da
logP
2.13Crippen estimate
Polar surface area
96.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
306936-40-3
SMILES
Cc1oc(C)c(S(=O)(=O)NCc2cccs2)c1C(=O)O
InChIKey
BXMCNOINQHTKEJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO5S2/c1-7-10(12(14)15)11(8(2)18-7)20(16,17)13-6-9-4-3-5-19-9/h3-5,13H,6H2,1-2H3,(H,14,15)

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Names and synonyms

4 names
  • 2,5-Dimethyl-4-[[(2-thienylmethyl)amino]sulfonyl]-3-furancarboxylic acid
  • 3-Furancarboxylic acid, 2,5-dimethyl-4-[[(2-thienylmethyl)amino]sulfonyl]-
  • 2,5-Dimethyl-4-[(thiophen-2-ylmethyl)sulfamoyl]furan-3-carboxylic acid
  • 2,5-Dimethyl-4-[[(thiophen-2-yl)methyl]sulfamoyl]furan-3-carboxylic acid

Work with 2,5-Dimethyl-4-(((2-thienylmethyl)amino)sulfonyl)-3-furancarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiophene-2-acetic acid1918-77-034 % similar Thiophene-2-carboxylic acid527-72-033 % similar 3-(2-Thienyl)propanoic acid5928-51-833 % similar 5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-432 % similar 2-Thiophenebutanoic acid4653-11-632 % similar 2-Methyl-3-furancarboxylic acid6947-94-031 % similar 5-(2-Thienyl)valeric acid21010-06-031 % similar 2,6-Dimethylbenzoic acid632-46-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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