Chemical ID: 4169746

CC(=O)c1ccc(cc1)NC(=O)c2cccs2
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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Descriptor Annotations

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