2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
Basic information
- CAS
878600-54-5- Standard SMILES
CSc1ccccc1NC(=O)CN(C)CC(=O)c1[nH]c(C)c(C(C)=O)c1C- InChIKey
BXYQOLYBDJNEHC-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.16166284
Names & identifiers
- Preferred name
- 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
- IUPAC
- 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
Names & synonyms
MLS0021572162-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamideSMR001239709CHEMBL1701867BDBM80681cid_9104842DTXSID401321499HMS3094H22AKOS034390036878600-54-5AB00749195-01Z46376814
Show more names
2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide2-[[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide2-{[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl](methyl)amino}-N-[2-(methylsulfanyl)phenyl]acetamide
Database identifiers
- CAS
878600-54-5- PubChem CID
- 9104842
- DTXSID
DTXSID401321499- ChEMBL
CHEMBL1701867
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Experimental & physicochemical properties
Solubility6.7 [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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