Chemical ID: 5914460

CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)CCC3CCCC3
Chemical ID:
5914460
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-butyl-3-cyclopentyl-propanamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C26H36N2O2S/c1-2-3-17-27(25(29)16-15-22-10-7-8-11-22)21-26(30)28(20-24-14-9-18-31-24)19-23-12-5-4-6-13-23/h4-6,9,12-14,18,22H,2-3,7-8,10-11,15-17,19-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,14,13,15,29,30,20,28,31,12,16,19,26,25,4,21,10,17,6,27,11,18,23,7,5,9,24,8,22/E:(5,6)(7,8)(10,11)(12,13)/rA:31nCCCCNCCONCCCCCCCCCCCCSCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s5;d23;s23;s25;s26;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H36N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.2167
Area:712.223
Solvation:-3.58883
Coulombic:-36.2787
Bond Count [?]
All:33
Single:26
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:440.642
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.69
LogP (Chemaxon):4.85

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