Chemical ID: 5839370

CC(=O)N(Cc1cccs1)C2(CCCCC2)C(=O)NC3CCCC3
Chemical ID:
5839370
Name [?]:
1-(acetyl-(2-thienylmethyl)amino)-N-cyclopentyl-cyclohexane-1-carboxamide
SMILES [?]:
CC(=O)N(Cc1cccs1)C2(CCCCC2)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C19H28N2O2S/c1-15(22)21(14-17-10-7-13-24-17)19(11-5-2-6-12-19)18(23)20-16-8-3-4-9-16/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,14,22,23,13,15,8,21,24,7,12,16,9,5,2,20,6,17,11,19,4,3,18,10/E:(3,4)(5,6)(8,9)(11,12)/rA:24nCCONCCCCCSCCCCCCCONCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s6s9;s4;s11;s12;s13;s14;s11s15;s11;d17;s17;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.84008
Area:505.258
Solvation:-2.79136
Coulombic:-39.0683
Bond Count [?]
All:26
Single:22
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):2.33

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