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Chemical ID: 5896076
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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