Chemical ID: 5917201

CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)NCC
Chemical ID:
5917201
Name [?]:
N-benzyl-2-(butyl-(ethylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)NCC
InChi [?]:
InChI=1/C21H29N3O2S/c1-3-5-13-23(21(26)22-4-2)17-20(25)24(16-19-12-9-14-27-19)15-18-10-7-6-8-11-18/h6-12,14H,3-5,13,15-17H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,3,14,13,15,20,12,16,19,4,21,10,17,6,11,18,7,23,25,5,9,8,24,22/E:(7,8)(10,11)/rA:27nCCCCNCCONCCCCCCCCCCCCSCONCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4237
Area:636.455
Solvation:-3.48768
Coulombic:-49.799
Bond Count [?]
All:28
Single:21
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:387.54
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):3.12

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