chempirical

Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate

C9H11NO6S2CAS 106820-63-7293.31 g/mol

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OONHSOOSOO
EsterSulfonamide

Properties

Molecular formula
C9H11NO6S2
Molar mass
293.31 g/mol
Exact mass
293.0028 Da
logP
-0.01Crippen estimate
Polar surface area
98.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5

Identifiers

CAS number
106820-63-7
SMILES
COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC
InChIKey
KUTKKTKUSGIBPZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3

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Names and synonyms

2 names
  • 2-Thiophenecarboxylic acid, 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-, methyl ester
  • Methyl 3-(methoxycarbonylmethylsulfamoyl)-thiophene-2-carboxylate

Work with Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate

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

Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-755 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-855 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-446 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-145 % similar Methyl (2-thienyl)acetate19432-68-937 % similar Thifensulfuron methyl79277-27-336 % similar Methyl 2-amino-3-thiophenecarboxylate4651-81-436 % similar Methyl 3-thiophenecarboxylate22913-26-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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