General Information of the Compound
Compound ID
CP0567311
Compound Name
1-phenyl-N-(4-phenylmethoxyphenyl)methanesulfonamide
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Structure
Formula
C20H19NO3S
Molecular Weight
353.443
Canonical SMILES
O=S(=O)(Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C20H19NO3S/c22-25(23,16-18-9-5-2-6-10-18)21-19-11-13-20(14-12-19)24-15-17-7-3-1-4-8-17/h1-14,21H,15-16H2
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InChIKey
DMPOHKQMSSUREW-UHFFFAOYSA-N
Physicochemical Property
logP
4.2075
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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).

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PubChem ID
CID: 1356953
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 5730 nM
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