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Chemical ID: 5410030
Chemical ID:
5410030
Name [?]:
N-[4-[2-(2-naphthylsulfonyl)acetyl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CS(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H18N2O4S/c1-14(23)21-17-7-9-18(10-8-17)22-20(24)13-27(25,26)19-11-6-15-4-2-3-5-16(15)12-19/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,25,20,6,10,7,9,19,27,14,2,21,26,5,8,18,12,4,11,3,13,16,17,15/E:(7,8)(9,10)(25,26)/CRV:27.6/rA:27nCCONCCCCCCNCOCSOOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;d15;s15;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48762 |
Area: | 592.399 |
Solvation: | -6.32235 |
Coulombic: | -41.2188 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 382.434 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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