Q5F
Summary
| Name: | N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide |
| Formula: | C14 H14 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 295.784 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-(4-chloranyl-2-methyl-phenoxy)ethyl]thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(COc1c(C)cc(cc1)Cl)NC(c2sccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | RULQUKFOBAPKKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cl)ccc1OCCNC(=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | Cc1cc(Cl)ccc1OCCNC(=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl |
