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Chemical ID: 6544239
Chemical ID:
6544239
Name [?]:
N-(3-dimethylaminophenyl)thiophene-2-carboxamide
SMILES [?]:
CN(C)c1cccc(c1)NC(=O)c2cccs2
InChi [?]:
InChI=1/C13H14N2OS/c1-15(2)11-6-3-5-10(9-11)14-13(16)12-7-4-8-17-12/h3-9H,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,6,15,7,5,14,16,9,8,4,13,11,10,2,12,17/E:(1,2)/rA:17nCNCCCCCCCNCOCCCCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90712 |
Area: | 437.207 |
Solvation: | -2.02306 |
Coulombic: | -29.1352 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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