Chemical ID: 5892665

CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)c3ccccc3)NC(=O)c4cccs4
Chemical ID:
5892665
Name [?]:
N-[4-(4-methyl-1-piperidyl)-3-(1-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)c3ccccc3)NC(=O)c4cccs4
InChi [?]:
InChI=1/C26H29N3O2S/c1-18-12-14-29(15-13-18)23-11-10-21(28-26(31)24-9-6-16-32-24)17-22(23)25(30)27-19(2)20-7-4-3-5-8-20/h3-11,16-19H,12-15H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,18,22,21,23,30,20,24,29,10,9,3,7,4,6,31,12,2,17,19,11,13,8,28,14,26,16,25,5,15,27,32/E:(4,5)(7,8)(12,13)(14,15)/rA:32cCCCCNCCCCCCCCCONCCCCCCCCNCOCCCCS/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17;s19;d20;s21;d22;d19s23;s11;s25;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.7097
Area:697.217
Solvation:-3.72069
Coulombic:-51.6751
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.593
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.24
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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