Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

C₁₄H₁₅NO₃SCAS 15854-11-2277.34 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₄H₁₅NO₃S
Molar mass: 277.34 g/mol
Exact mass: 277.0773 Da
logP: 3.18Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

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

Identifiers

CAS number

15854-11-2

SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N

InChIKey

ZUOUKGJUHCKVDK-UHFFFAOYSA-N

InChI

InChI=1S/C14H15NO3S/c1-3-18-14(16)12-11(8-19-13(12)15)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3

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Names and synonyms

1 names

Ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate

Work with Ethyl 2-amino-4-(4-methoxyphenyl)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

2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-573 % similar 2-Amino-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester306934-99-672 % similar Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate35978-33-772 % similar Ethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate65234-09-572 % similar Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-957 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-255 % similar Ethyl 4-methoxybenzoate94-30-453 % similar Ethyl 2-aminothiophene-3-carboxylate31891-06-245 % similar

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

Elsewhere

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