N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
Basic information
- CAS
851412-91-4- Standard SMILES
COc1ccc(C(=O)NCCn2cc(SCC(N)=O)c3ccccc32)cc1- InChIKey
DMUNVSMIAHRTDG-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.13036271
Names & identifiers
- Preferred name
- N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
- IUPAC
- N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
Names & synonyms
851412-91-4N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-methoxybenzamideN-(2-(3-((2-amino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamideN-(2-{3-[(carbamoylmethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamideMLS000419235CHEMBL1717750DTXSID101325597HMS2743C11AKOS024587871SMR000319908SR-01000007753SR-01000007753-1
Show more names
F0617-0026N-(2-{3-[(2-Amino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methoxybenzamide
Database identifiers
- CAS
851412-91-4- PubChem CID
- 4459212
- DTXSID
DTXSID101325597- ChEMBL
CHEMBL1717750
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Experimental & physicochemical properties
Solubility50.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…