Basic information
- CAS
57666-09-8- Standard SMILES
CSc1c(CC(=O)Nc2ccccc2)n(C)c2ccccc12- InChIKey
CMQCILKLCYYXPO-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.11398438
Names & identifiers
- Preferred name
- 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
- IUPAC
- 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
Names & synonyms
2-[1-Methyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-phenylacetamide2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamideTimTec1_000023Oprea1_420535Oprea1_67716657666-09-8MLS001210667CHEMBL1333534CMQCILKLCYYXPO-UHFFFAOYSA-NDTXSID301326472HMS1534B01HMS2827D10
Show more names
2-(1-Methyl-3-methylsulfanyl-1H-indol-2-yl)-N-phenyl-acetamideSTK864677AKOS000511022CCG-110704SMR000516832ST001919BRD-K98760184-001-01-32-(1-methyl-3-methylthioindol-2-yl)-N-phenylacetamide
Database identifiers
- CAS
57666-09-8- PubChem CID
- 555263
- DTXSID
DTXSID301326472- ChEMBL
CHEMBL1333534
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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