Chemical ID: 7285069

CCN(CC(=O)NCc1cccs1)CC(=O)Nc2ccccc2C
Chemical ID:
7285069
Name [?]:
2-(ethyl-(o-tolylcarbamoylmethyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCN(CC(=O)NCc1cccs1)CC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C18H23N3O2S/c1-3-21(12-17(22)19-11-15-8-6-10-24-15)13-18(23)20-16-9-5-4-7-14(16)2/h4-10H,3,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,21,20,11,22,10,19,12,8,4,14,23,9,18,5,15,7,17,3,6,16,13/rA:24cCCNCCONCCCCCSCCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;s3;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O2S
All Atoms:47
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.0527
Area:588.731
Solvation:-4.66557
Coulombic:-46.6313
Bond Count [?]
All:25
Single:18
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:345.46
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.39
LogP (Chemaxon):1.51

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