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Chemical ID: 5592915
Chemical ID:
5592915
Name [?]:
3-methyl-N-(2-morpholinophenyl)-thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1C(=O)Nc2ccccc2N3CCOCC3
InChi [?]:
InChI=1/C16H18N2O2S/c1-12-6-11-21-15(12)16(19)17-13-4-2-3-5-14(13)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,3,17,21,18,20,4,2,10,15,6,7,9,16,8,19,5/E:(7,8)(9,10)/rA:21nCCCCSCCONCCCCCCNCCOCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19847 |
Area: | 487.958 |
Solvation: | -3.00048 |
Coulombic: | -38.0774 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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