Chemical ID: 5917207

CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)NC(C)(C)C
Chemical ID:
5917207
Name [?]:
N-benzyl-2-(butyl-(tert-butylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-5-6-14-25(22(28)24-23(2,3)4)18-21(27)26(17-20-13-10-15-29-20)16-19-11-8-7-9-12-19/h7-13,15H,5-6,14,16-18H2,1-4H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,3,14,13,15,20,12,16,19,4,21,10,17,6,11,18,7,23,26,25,5,9,8,24,22/E:(2,3,4)(8,9)(11,12)/rA:29nCCCCNCCONCCCCCCCCCCCCSCONCCCC/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;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2782
Area:666.16
Solvation:-3.37576
Coulombic:-50.0488
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.94
LogP (Chemaxon):3.62

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