Chemical ID: 5891864

c1cc(sc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
Chemical ID:
5891864
Name [?]:
N-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCCC4
InChi [?]:
InChI=1/C21H25N3O2S/c25-20(19-7-6-14-27-19)22-16-8-9-18(23-10-2-1-3-11-23)17(15-16)21(26)24-12-4-5-13-24/h6-9,14-15H,1-5,10-13H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,24,26,19,20,1,2,10,11,23,27,18,21,5,14,9,13,12,3,6,15,8,22,17,7,16,4/E:(2,3)(4,5)(10,11)(12,13)/rA:27nCCCSCCONCCCCCCCONCCCCNCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s17s20;s12;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3169
Area:593.091
Solvation:-3.51041
Coulombic:-45.1639
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.508
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.14
LogP (Chemaxon):2.97

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