ChemDB: Chemical Search
Download
Chemical ID: 5976058
Chemical ID:
5976058
Name [?]:
N-[4-dimethylamino-3-(1-piperidylcarbonyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)N2CCCCC2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C19H23N3O2S/c1-21(2)16-9-8-14(20-18(23)17-7-6-12-25-17)13-15(16)19(24)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,15,14,16,23,22,6,5,13,17,24,8,7,9,4,21,19,10,18,2,12,20,11,25/E:(1,2)(4,5)(10,11)/rA:25nCNCCCCCCCCONCCCCCNCOCCCCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s7;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4439 |
Area: | 563.13 |
Solvation: | -3.63438 |
Coulombic: | -45.1044 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.65 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|