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Chemical ID: 5106785
Chemical ID:
5106785
Name [?]:
2-[(2-ethoxyphenyl)-phenylsulfonyl-amino]-N-ethyl-acetamide
SMILES [?]:
CCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C18H22N2O4S/c1-3-19-18(21)14-20(16-12-8-9-13-17(16)24-4-2)25(22,23)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,23,22,24,10,11,21,25,9,12,6,20,8,13,4,3,7,5,18,19,14,17/E:(6,7)(10,11)(22,23)/CRV:25.6/rA:25cCCNCOCNCCCCCCOCCSOOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7;d17;d17;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89552 |
Area: | 512.545 |
Solvation: | -3.91811 |
Coulombic: | -35.9674 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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