Chemical ID: 5067159

COc1ccc(cc1)CNC(=O)c2ccc(cc2)N(Cc3ccccc3)S(=O)(=O)C
Chemical ID:
5067159
Name [?]:
4-(benzyl-methylsulfonyl-amino)-N-[(4-methoxyphenyl)methyl]benzamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2ccc(cc2)N(Cc3ccccc3)S(=O)(=O)C
InChi [?]:
InChI=1/C23H24N2O4S/c1-29-22-14-8-18(9-15-22)16-24-23(26)20-10-12-21(13-11-20)25(30(2,27)28)17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,30,24,23,25,22,26,5,7,14,18,15,17,4,8,9,20,6,21,13,16,3,11,10,19,12,28,29,2,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/CRV:30.6/rA:30cCOCCCCCCCNCOCCCCCCNCCCCCCCSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s19;d27;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.8072
Area:651.062
Solvation:-5.4693
Coulombic:-36.2412
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.514
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.56
LogP (Chemaxon):3.0

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Descriptor Annotations

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