Chemical ID: 5568482

Cc1cc(ccc1Cl)OCC(=O)Nc2c(ccs2)C(=O)N
Chemical ID:
5568482
Name [?]:
2-[2-(4-chloro-3-methyl-phenoxy)acetyl]aminothiophene-3-carboxamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2c(ccs2)C(=O)N
InChi [?]:
InChI=1/C14H13ClN2O3S/c1-8-6-9(2-3-11(8)15)20-7-12(18)17-14-10(13(16)19)4-5-21-14/h2-6H,7H2,1H3,(H2,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,6,16,17,3,10,2,4,15,7,11,19,14,8,21,13,12,20,9,18/rA:21nCCCCCCCClOCCONCCCCSCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.99371
Area:515.25
Solvation:-4.88754
Coulombic:-53.6523
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.783
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.19
LogP (Chemaxon):2.76

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