ChemDB: Chemical Search
Download
Chemical ID: 4755197
Chemical ID:
4755197
Name [?]:
N-[[5-(cyclohexyl-methyl-sulfamoyl)-2-thienyl]methyl]benzamide
SMILES [?]:
CN(C1CCCCC1)S(=O)(=O)c2ccc(s2)CNC(=O)c3ccccc3
InChi [?]:
InChI=1/C19H24N2O3S2/c1-21(16-10-6-3-7-11-16)26(23,24)18-13-12-17(25-18)14-20-19(22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,6,23,25,5,7,22,26,4,8,14,13,17,21,3,15,12,19,18,2,20,10,11,16,9/E:(4,5)(6,7)(8,9)(10,11)(23,24)/CRV:26.6/rA:26cCNCCCCCCSOOCCCCSCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;d9;s9;d12;s13;d14;s12s15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.364 |
Area: | 612.316 |
Solvation: | -2.94385 |
Coulombic: | -32.1424 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 392.538 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.77 |
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 |
---|