Chemical ID: 6544239

CN(C)c1cccc(c1)NC(=O)c2cccs2
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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