Chemical ID: 5592915

Cc1ccsc1C(=O)Nc2ccccc2N3CCOCC3
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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Descriptor Annotations

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