Chemical ID: 5650178

Cc1cccc(c1)C(=O)Nc2c(c3c(s2)CCC(C3)C)C(=O)N
Chemical ID:
5650178
Name [?]:
5-methyl-2-(3-methylbenzoyl)amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2c(c3c(s2)CCC(C3)C)C(=O)N
InChi [?]:
InChI=1/C18H20N2O2S/c1-10-4-3-5-12(8-10)17(22)20-18-15(16(19)21)13-9-11(2)6-7-14(13)23-18/h3-5,8,11H,6-7,9H2,1-2H3,(H2,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,4,3,5,17,16,7,19,2,18,6,13,14,12,21,8,11,23,10,22,9,15/rA:23cCCCCCCCCONCCCCSCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s18;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.4934
Area:528.253
Solvation:-2.71295
Coulombic:-48.5006
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.43
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.97
LogP (Chemaxon):3.62

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