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Chemical ID: 7321732
Chemical ID:
7321732
Name [?]:
5-ethyl-N-(5-fluoro-2-methyl-phenyl)-4-methyl-thiophene-2-carboxamide
SMILES [?]:
CCc1c(cc(s1)C(=O)Nc2cc(ccc2C)F)C
InChi [?]:
InChI=1/C15H16FNOS/c1-4-13-10(3)7-14(19-13)15(18)17-12-8-11(16)6-5-9(12)2/h5-8H,4H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,19,2,15,14,5,12,16,4,13,11,3,6,8,18,10,9,7/rA:19nCCCCCCSCONCCCCCCCFC/rB:s1;s2;d3;s4;d5;s3s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FNOS |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44748 |
Area: | 465.151 |
Solvation: | -2.18129 |
Coulombic: | -26.8456 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.65 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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