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Chemical ID: 3913374
Chemical ID:
3913374
Name [?]:
N-[4-methyl-3-(3-methylbenzoyl)amino-phenyl]thiophene-2-carboxamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cc(ccc2C)NC(=O)c3cccs3
InChi [?]:
InChI=1/C20H18N2O2S/c1-13-5-3-6-15(11-13)19(23)22-17-12-16(9-8-14(17)2)21-20(24)18-7-4-10-25-18/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,17,4,23,3,5,22,15,14,24,7,12,2,16,6,13,11,21,8,19,18,10,9,20,25/rA:25nCCCCCCCCONCCCCCCCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7575 |
Area: | 572.857 |
Solvation: | -2.5639 |
Coulombic: | -45.1875 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.435 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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