Chemical ID: 5918094

CCNC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2cccs2
Chemical ID:
5918094
Name [?]:
N-benzyl-2-(ethylcarbamoyl-(3-methoxypropyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCNC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C21H29N3O3S/c1-3-22-21(26)23(12-8-13-27-2)17-20(25)24(16-19-11-7-14-28-19)15-18-9-5-4-6-10-18/h4-7,9-11,14H,3,8,12-13,15-17H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,11,2,20,19,21,26,8,18,22,25,7,9,27,16,23,12,17,24,13,4,3,6,15,14,5,10,28/E:(5,6)(9,10)/rA:28nCCNCONCCCOCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s6;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.825
Area:641.225
Solvation:-5.2056
Coulombic:-56.2401
Bond Count [?]
All:29
Single:22
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:403.539
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.88
LogP (Chemaxon):1.8

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