N-cyclohexyl-2-(1-methylindol-3-yl)sulfanylacetamide
Basic information
- CAS
450348-59-1- Standard SMILES
Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21- InChIKey
YRMWUSCNCYXWNE-UHFFFAOYSA-N- Molecular formula
- C17H22N2OS
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.1452845
Names & identifiers
- Preferred name
- N-cyclohexyl-2-(1-methylindol-3-yl)sulfanylacetamide
- IUPAC
- N-cyclohexyl-2-(1-methylindol-3-yl)sulfanylacetamide
Names & synonyms
450348-59-1N-cyclohexyl-2-(1-methylindol-3-yl)sulfanylacetamideN-cyclohexyl-2-[(1-methyl-1H-indol-3-yl)sulfanyl]acetamideN-cyclohexyl-2-((1-methyl-1H-indol-3-yl)thio)acetamideIFLab1_002213Oprea1_549789MLS001238063CHEMBL1727233DTXSID901330059HMS1418E13HMS2995O16AKOS024582603
Show more names
SMR000805871SR-01000571044SR-01000571044-1F0545-0780
Database identifiers
- CAS
450348-59-1- PubChem CID
- 4534611
- DTXSID
DTXSID901330059- ChEMBL
CHEMBL1727233
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility9.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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