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Chemical ID: 5892665
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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