Chemical ID: 5915809

CCCCC(=O)N(CC=C)CC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
5915809
Name [?]:
N-allyl-N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CC=C)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C22H28N2O2S/c1-3-5-13-21(25)23(14-4-2)18-22(26)24(17-20-12-9-15-27-20)16-19-10-7-6-8-11-19/h4,6-12,15H,2-3,5,13-14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,2,9,3,19,18,20,25,17,21,24,4,8,26,15,22,11,16,23,5,12,7,14,6,13,27/E:(7,8)(10,11)/rA:27nCCCCCONCCCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s7;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s14;s22;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0441
Area:633.367
Solvation:-3.79013
Coulombic:-36.5189
Bond Count [?]
All:28
Single:20
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:384.536
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.65
LogP (Chemaxon):3.76

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