Chemical ID: 5916980

CCCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)Cc3cccs3
Chemical ID:
5916980
Name [?]:
N-benzyl-2-[butyl-[2-(2-thienyl)acetyl]-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)Cc3cccs3
InChi [?]:
InChI=1/C25H30N2O2S2/c1-3-4-14-26(24(28)16-22-11-8-15-30-22)19-25(29)27(17-21-9-6-5-7-10-21)18-23-13-12-20(2)31-23/h5-13,15H,3-4,14,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,3,14,13,15,29,12,16,28,20,19,4,30,26,10,17,6,21,11,27,18,24,7,5,9,25,8,31,22/E:(6,7)(9,10)/rA:31nCCCCNCCONCCCCCCCCCCCCSCCOCCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s21;s5;d24;s24;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.3892
Area:721.098
Solvation:-4.63821
Coulombic:-35.1382
Bond Count [?]
All:33
Single:24
Double:9
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:454.65
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):4.06

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