Chemical ID: 5915691

CC(C)(C)C(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
5915691
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(3-methoxypropyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C23H32N2O3S/c1-23(2,3)22(27)24(13-9-14-28-4)18-21(26)25(17-20-12-8-15-29-20)16-19-10-6-5-7-11-19/h5-8,10-12,15H,9,13-14,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,21,20,22,27,9,19,23,26,8,10,28,17,24,13,18,25,14,5,2,7,16,15,6,11,29/E:(1,2,3)(6,7)(10,11)/rA:29nCCCCCONCCCOCCCONCCCCCCCCCCCCS/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6918
Area:632.915
Solvation:-5.13105
Coulombic:-42.8513
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:416.578
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.56
LogP (Chemaxon):3.34

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