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Chemical ID: 4480512
Chemical ID:
4480512
Name [?]:
N-(3-methoxyphenyl)-2-(methyl-(2-naphthylsulfonyl)amino)-acetamide
SMILES [?]:
CN(CC(=O)Nc1cccc(c1)OC)S(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H20N2O4S/c1-22(14-20(23)21-17-8-5-9-18(13-17)26-2)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,14H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,14,23,24,9,22,25,8,10,20,19,27,12,3,21,26,7,11,18,4,6,2,5,16,17,13,15/E:(24,25)/CRV:27.6/rA:27cCNCCONCCCCCCOCSOOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s2;d15;d15;s15;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89111 |
Area: | 587.393 |
Solvation: | -5.7937 |
Coulombic: | -35.0185 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.03 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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