Chemical ID: 5891995

COCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cccs3
Chemical ID:
5891995
Name [?]:
N-[3-(2-methoxyethylcarbamoyl)-4-(1-piperidyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
COCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C20H25N3O3S/c1-26-12-9-21-19(24)16-14-15(22-20(25)18-6-5-13-27-18)7-8-17(16)23-10-3-2-4-11-23/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,25,24,11,12,4,15,19,3,26,9,10,8,13,23,6,21,5,20,14,7,22,2,27/E:(3,4)(10,11)/rA:27nCOCCNCOCCCCCCNCCCCCNCOCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4198
Area:620.979
Solvation:-5.10471
Coulombic:-56.6993
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:387.497
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):2.24

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