Chemical ID: 7498421

CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)(C)C
Chemical ID:
7498421
Name [?]:
4-isopropoxy-N-[4-(tert-butylsulfamoyl)phenyl]-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)(C)C
InChi [?]:
InChI=1/C20H26N2O4S/c1-14(2)26-17-10-6-15(7-11-17)19(23)21-16-8-12-18(13-9-16)27(24,25)22-20(3,4)5/h6-14,22H,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,7,9,15,19,6,10,16,18,2,8,14,5,17,11,24,13,23,12,21,22,4,20/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)(12,13)(24,25)/CRV:27.6/rA:27nCCCOCCCCCCCONCCCCCCSOONCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O4S
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2814
Area:605.138
Solvation:-3.84705
Coulombic:-41.6729
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.498
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.94
LogP (Chemaxon):3.32

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Descriptor Annotations

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