Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate

C₁₄H₁₄N₂O₄SCAS 174072-89-0306.34 g/mol

Open in Covalent MOL file

Ester Nitro Primary amine

Properties

Molecular formula: C₁₄H₁₄N₂O₄S
Molar mass: 306.34 g/mol
Exact mass: 306.0674 Da
logP: 3.39Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Identifiers

CAS number

174072-89-0

SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=C(C=C2)[N+](=O)[O-])N

InChIKey

CXRJNUVDWUINBY-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2O4S/c1-3-20-14(17)11-8(2)12(21-13(11)15)9-4-6-10(7-5-9)16(18)19/h4-7H,3,15H2,1-2H3

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Names and synonyms

1 names

Ethyl 2-amino-4-methyl-5-(4-nitro-phenyl)-thiophene-3-carboxylate

Work with Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate

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-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate308831-94-959 % similar Ethyl 4-nitrobenzoate99-77-454 % similar Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-153 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-953 % similar Ethyl 2-(((2,6-difluorophenyl)methyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate1589503-97-848 % similar Ethyl 2-chloro-5-nitrobenzoate16588-17-347 % similar Ethyl m-nitrobenzoate618-98-447 % similar 2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene4815-37-647 % similar

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

Same formula

Phenazine methosulfate299-11-6

Elsewhere

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