Chemical ID: 5364798

Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(cc2)N(C)C)OC
Chemical ID:
5364798
Name [?]:
N-[(4-dimethylaminophenyl)methyleneamino]-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(cc2)N(C)C)OC
InChi [?]:
InChI=1/C20H26N4O4S/c1-15-6-11-18(28-5)19(12-15)29(26,27)24(4)14-20(25)22-21-13-16-7-9-17(10-8-16)23(2)3/h6-13H,14H2,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,12,29,3,20,24,21,23,4,7,18,13,2,19,22,5,6,14,17,16,25,11,15,9,10,28,8/E:(2,3)(7,8)(9,10)(26,27)/CRV:29.6/rA:29cCCCCCCCSOONCCCONNCCCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s11;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s5;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.61329
Area:628.494
Solvation:-6.09905
Coulombic:-38.6604
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:418.511
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.41
LogP (Chemaxon):2.87

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Descriptor Annotations

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