Chemical ID: 5915824

C=CCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3cccs3
Chemical ID:
5915824
Name [?]:
N-allyl-N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]thiophene-2-carboxamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3cccs3
InChi [?]:
InChI=1/C22H22N2O2S2/c1-2-12-23(22(26)20-11-7-14-28-20)17-21(25)24(16-19-10-6-13-27-19)15-18-8-4-3-5-9-18/h2-11,13-14H,1,12,15-17H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,19,26,11,15,18,25,3,20,27,9,16,5,10,17,24,6,22,4,8,7,23,21,28/E:(4,5)(8,9)/rA:28nCCCNCCONCCCCCCCCCCCCSCOCCCCS/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1887
Area:584.925
Solvation:-3.43441
Coulombic:-38.9032
Bond Count [?]
All:30
Single:20
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.554
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):3.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue