Chemical ID: 5915238

CCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(C)C
Chemical ID:
5915238
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-isopropyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(C)C
InChi [?]:
InChI=1/C22H30N2O2S/c1-4-5-13-21(25)24(18(2)3)17-22(26)23(16-20-12-9-14-27-20)15-19-10-7-6-8-11-19/h6-12,14,18H,4-5,13,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,3,16,15,17,22,14,18,21,4,23,12,19,8,25,13,20,5,9,11,7,6,10,24/E:(2,3)(7,8)(10,11)/rA:27nCCCCCONCCONCCCCCCCCCCCCSCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7689
Area:616.812
Solvation:-3.65141
Coulombic:-35.0927
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:386.552
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.92
LogP (Chemaxon):3.78

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