Chemical ID: 3913374

Cc1cccc(c1)C(=O)Nc2cc(ccc2C)NC(=O)c3cccs3
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

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Descriptor Annotations

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