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Chemical ID: 4169746
Chemical ID:
4169746
Name [?]:
N-(4-acetylphenyl)thiophene-2-carboxamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2cccs2
InChi [?]:
InChI=1/C13H11NO2S/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,5,9,6,8,16,2,4,7,13,11,10,3,12,17/E:(4,5)(6,7)/rA:17nCCOCCCCCCNCOCCCCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21271 |
Area: | 432.649 |
Solvation: | -2.60352 |
Coulombic: | -30.214 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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