Chemical ID: 5917723

CCCCNC(=O)N(CC(C)C)CC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
5917723
Name [?]:
N-benzyl-2-(butylcarbamoyl-isobutyl-amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCNC(=O)N(CC(C)C)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C23H33N3O2S/c1-4-5-13-24-23(28)26(15-19(2)3)18-22(27)25(17-21-12-9-14-29-21)16-20-10-7-6-8-11-20/h6-12,14,19H,4-5,13,15-18H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,3,21,20,22,27,19,23,26,4,28,9,17,24,13,10,18,25,14,6,5,16,8,15,7,29/E:(2,3)(7,8)(10,11)/rA:29nCCCCNCONCCCCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s10;s8;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.1321
Area:671.117
Solvation:-3.64579
Coulombic:-50.32
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):4.0

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