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Chemical ID: 5892185
Chemical ID:
5892185
Name [?]:
N-[3-(3-ethoxypropylcarbamoyl)-4-(1-piperidyl)phenyl]thiophene-2-carboxamide
SMILES [?]:
CCOCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C22H29N3O3S/c1-2-28-14-7-11-23-21(26)18-16-17(24-22(27)20-8-6-15-29-20)9-10-19(18)25-12-4-3-5-13-25/h6,8-10,15-16H,2-5,7,11-14H2,1H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,27,5,26,13,14,6,17,21,4,28,11,12,10,15,25,8,23,7,22,16,9,24,3,29/E:(4,5)(12,13)/rA:29nCCOCCCNCOCCCCCCNCCCCCNCOCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9451 |
Area: | 678.164 |
Solvation: | -5.00902 |
Coulombic: | -56.9916 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.55 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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