Chemical ID: 5896076

CC1CCN(CC1)c2ccc(cc2C(=O)NCCOC)NC(=O)c3cccs3
Chemical ID:
5896076
Name [?]:
N-[3-(2-methoxyethylcarbamoyl)-4-(4-methyl-1-piperidyl)-phenyl]thiophene-2-carboxamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NCCOC)NC(=O)c3cccs3
InChi [?]:
InChI=1/C21H27N3O3S/c1-15-7-10-24(11-8-15)18-6-5-16(23-21(26)19-4-3-13-28-19)14-17(18)20(25)22-9-12-27-2/h3-6,13-15H,7-12H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,20,26,25,10,9,3,7,17,4,6,18,27,12,2,11,13,8,24,14,22,16,21,5,15,23,19,28/E:(7,8)(10,11)/rA:28nCCCCNCCCCCCCCCONCCOCNCOCCCCS/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s11;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9643
Area:642.633
Solvation:-5.10152
Coulombic:-56.9861
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.523
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.81
LogP (Chemaxon):2.57

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Descriptor Annotations

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