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Chemical ID: 6500467
Chemical ID:
6500467
Name [?]:
2-[(3,4-dimethylphenyl)-phenylsulfonyl-amino]-N-[(4-methoxyphenyl)-phenyl-methyl]-acetamide
SMILES [?]:
Cc1ccc(cc1C)N(CC(=O)NC(c2ccccc2)c3ccc(cc3)OC)S(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C30H30N2O4S/c1-22-14-17-26(20-23(22)2)32(37(34,35)28-12-8-5-9-13-28)21-29(33)31-30(24-10-6-4-7-11-24)25-15-18-27(36-3)19-16-25/h4-20,30H,21H2,1-3H3,(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,8,28,18,35,17,19,34,36,16,20,33,37,3,22,26,4,23,25,6,10,2,7,15,21,5,24,32,11,14,13,9,12,30,31,27,29/E:(6,7)(8,9)(10,11)(12,13)(15,16)(18,19)(34,35)/CRV:37.6/rA:37cCCCCCCCCNCCONCCCCCCCCCCCCCOCSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s14;s21;d22;s23;d24;d21s25;s24;s27;s9;d29;d29;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H30N2O4S |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.4167 |
Area: | 734.457 |
Solvation: | -5.94468 |
Coulombic: | -38.9758 |
Bond Count [?]
All: | 40 |
Single: | 25 |
Double: | 15 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 514.636 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.52 |
LogP (Chemaxon): | 6.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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