ChemDB: Chemical Search
Download
Chemical ID: 5849915
Chemical ID:
5849915
Name [?]:
N-(4-dimethylaminophenyl)-2-phenylsulfanyl-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2ccccc2
InChi [?]:
InChI=1/C16H18N2OS/c1-18(2)14-10-8-13(9-11-14)17-16(19)12-20-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,20,6,8,5,9,13,7,4,15,11,10,2,12,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20nCNCCCCCCCNCOCSCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31583 |
Area: | 501.029 |
Solvation: | -3.20989 |
Coulombic: | -27.7676 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.73 |
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 |
---|