Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
HCID
70968439
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
Cc1cc(C(C)NC(=O)C2CC2(C)c2ccc(C(F)(F)F)cc2)ccc1NS(C)(=O)=O
InChIKey
QBSGGRBQZFUFTQ-UHFFFAOYSA-N
Molecular formula
C22H25F3N2O3S
Average molar mass
454.5 g/mol
Monoisotopic mass
454.15379832
Names & identifiers
Preferred name
N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
IUPAC
N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
Names & synonyms
SCHEMBL13685635
Database identifiers
PubChem CID
70968439
Properties
Computed structural properties
XLogP
4
Topological polar surface area
83.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
759
Show all 8
Show all 8 / 8
Related reactions
2 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
307923
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
2319086
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
Loading…