chempirical

2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene

C14H15NO2SCAS 4815-37-6261.34 g/mol

Open in Covalent MOL file
OOH2NS
EsterPrimary amine

Properties

Molecular formula
C14H15NO2S
Molar mass
261.34 g/mol
Exact mass
261.0823 Da
Melting point
93 °C
logP
3.48Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
4815-37-6
SMILES
CCOC(=O)c1c(N)sc(C)c1-c1ccccc1
InChIKey
SXONDAWSQJWZEO-UHFFFAOYSA-N
InChI
InChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(9(2)18-13(12)15)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3

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Names and synonyms

2 names
  • 3-Thiophenecarboxylic acid, 2-amino-5-methyl-4-phenyl-, ethyl ester
  • Ethyl 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylate

Work with 2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene

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

Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-162 % similar 2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-560 % similar Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-356 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-952 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate4506-71-247 % similar Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4815-29-647 % similar Tinoridine hydrochloride25913-34-247 % similar Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-146 % similar

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

Same formula

N-Benzyl-P-toluenesulfonamide1576-37-0 Cyclohexylthiophthalimide17796-82-6

Elsewhere

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