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Chemical ID: 3907889
Chemical ID:
3907889
Name [?]:
N-[2,4-dimethoxy-5-(2-pyridylmethylsulfamoyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccn2
InChi [?]:
InChI=1/C16H19N3O5S/c1-11(20)19-13-8-16(15(24-3)9-14(13)23-2)25(21,22)18-10-12-6-4-5-7-17-12/h4-9,18H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,14,22,23,21,24,6,9,19,2,20,5,10,8,7,25,18,4,3,16,17,11,13,15/E:(21,22)/CRV:25.6/rA:25nCCONCCCCCCOCOCSOONCCCCCCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s7;d15;d15;s15;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O5S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26045 |
Area: | 551.31 |
Solvation: | -6.52231 |
Coulombic: | -48.4316 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 365.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.5 |
LogP (Chemaxon): | 0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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