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Chemical ID: 4184814
Chemical ID:
4184814
Name [?]:
N-[2-methyl-5-(2-thienylcarbonylamino)phenyl]thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2cccs2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C17H14N2O2S2/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)10-13(11)19-17(21)15-5-3-9-23-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,13,20,12,3,4,22,14,6,2,5,7,19,11,17,9,16,8,18,10,23,15/rA:23nCCCCCCCNCOCCCCSNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s5;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2292 |
Area: | 546.173 |
Solvation: | -2.42515 |
Coulombic: | -45.1797 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.437 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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