Chemical ID: 4469071

Cc1ccc(cc1)SCCC(=O)Nc2cccc(c2)N(C)S(=O)(=O)C
Chemical ID:
4469071
Name [?]:
N-[3-(methyl-methylsulfonyl-amino)phenyl]-3-(p-tolylsulfanyl)propanamide
SMILES [?]:
Cc1ccc(cc1)SCCC(=O)Nc2cccc(c2)N(C)S(=O)(=O)C
InChi [?]:
InChI=1/C18H22N2O3S2/c1-14-7-9-17(10-8-14)24-12-11-18(21)19-15-5-4-6-16(13-15)20(2)25(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,25,16,15,17,3,7,4,6,10,9,19,2,14,18,5,11,13,20,12,23,24,8,22/E:(7,8)(9,10)(22,23)/CRV:25.6/rA:25cCCCCCCCSCCCONCCCCCCNCSOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.5598
Area:598.685
Solvation:-4.40729
Coulombic:-25.3744
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.511
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.84
LogP (Chemaxon):3.08

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