Chemical ID: 5123353

CCOc1ccccc1N(CC(=O)NCc2ccc(cc2)OC)S(=O)(=O)c3ccccc3
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

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Experimental Annotations

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Descriptor Annotations

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