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N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

HCID 70968439
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind 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

Related reactions

2 records
New reaction record
HRID 307923 reaction equation
HRID 307923As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2319086 reaction equation
HRID 2319086As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes