Chemical ID: 6168115

Cc1ccc(cc1)CNC(=O)CN(c2ccccc2)S(=O)(=O)C
Chemical ID:
6168115
Name [?]:
2-(methylsulfonyl-phenyl-amino)-N-(p-tolylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)CN(c2ccccc2)S(=O)(=O)C
InChi [?]:
InChI=1/C17H20N2O3S/c1-14-8-10-15(11-9-14)12-18-17(20)13-19(23(2,21)22)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,19,3,7,4,6,8,12,2,5,14,10,9,13,11,21,22,20/E:(4,5)(6,7)(8,9)(10,11)(21,22)/CRV:23.6/rA:23cCCCCCCCCNCOCNCCCCCCSOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s13;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.739
Area:537.086
Solvation:-3.68816
Coulombic:-27.8124
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.418
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.14
LogP (Chemaxon):1.97

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