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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCC3)N |
|---|---|
| IUPAC Name | 2-amino-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| InChIKey | DPKARWWYQYRSHA-UHFFFAOYSA-N |
| INCHI | 1S/C17H20N2O3S/c1-21-10-7-8-13(22-2)12(9-10)19-17(20)15-11-5-3-4-6-14(11)23-16(15)18/h7-9H,3-6,18H2,1-2H3,(H,19,20) |
| Peso molecular | 332.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Dimethoxybenzenes Methoxyanilines 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - P-dimethoxybenzene - Dimethoxybenzene - 3,4,5-trisubstituted-2-aminothiophene - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - 2-aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Peso molecular | 332.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 332.119 Da |
| Monoisotopic Mass | 332.119 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 423.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
