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Chemical ID: 5123353
Chemical ID:
5123353
Name [?]:
2-[(2-ethoxyphenyl)-phenylsulfonyl-amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
CCOc1ccccc1N(CC(=O)NCc2ccc(cc2)OC)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C24H26N2O5S/c1-3-31-23-12-8-7-11-22(23)26(32(28,29)21-9-5-4-6-10-21)18-24(27)25-17-19-13-15-20(30-2)16-14-19/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,23,2,30,29,31,7,6,28,32,8,5,17,21,18,20,15,11,16,19,27,9,4,12,14,10,13,25,26,22,3,24/E:(5,6)(9,10)(13,14)(15,16)(28,29)/CRV:32.6/rA:32cCCOCCCCCCNCCONCCCCCCCOCSOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s10;d24;d24;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O5S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.50333 |
Area: | 675.719 |
Solvation: | -7.38966 |
Coulombic: | -42.3202 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 454.54 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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