General Information of the Compound
Compound ID
CP0411430
Compound Name
N-(2-methylphenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
    Show/Hide
Structure
Formula
C23H24N2O4S
Molecular Weight
424.522
Canonical SMILES
Cc1ccccc1NC(=O)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
    Show/Hide
InChI
InChI=1S/C23H24N2O4S/c1-18-7-5-6-10-22(18)25-23(26)17-29-20-11-13-21(14-12-20)30(27,28)24-16-15-19-8-3-2-4-9-19/h2-14,24H,15-17H2,1H3,(H,25,26)
    Show/Hide
InChIKey
HIHLXGDICDBJBK-UHFFFAOYSA-N
Physicochemical Property
logP
3.53352
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2193570
ChEMBL ID
CHEMBL3613991
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03624, Phosphatidylcholine:ceramide cholinephosphotransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS