ChemDB: Chemical Search
Download
Chemical ID: 7498413
Chemical ID:
7498413
Name [?]:
N-[4-(diethylsulfamoyl)phenyl]-4-isopropoxy-benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C20H26N2O4S/c1-5-22(6-2)27(24,25)19-13-9-17(10-14-19)21-20(23)16-7-11-18(12-8-16)26-15(3)4/h7-15H,5-6H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,26,27,2,4,19,23,11,13,20,22,10,14,25,18,12,21,9,16,15,3,17,7,8,24,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/CRV:27.6/rA:27nCCNCCSOOCCCCCCNCOCCCCCCOCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O4S |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4088 |
Area: | 616.333 |
Solvation: | -3.99956 |
Coulombic: | -36.7958 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.498 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.42 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|