IUPAC name
S-[[(2-chlorophenyl)(1-oxobutyl)amino]methyl] O,O-dimethyl phosphorodithioate
SMILES
CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
fosmethilan
IUPAC name
S-[[(2-chlorophenyl)(1-oxobutyl)amino]methyl] O,O-dimethyl phosphorodithioate
SMILES
CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl
INCHI
InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3
FORMULA
C13H19ClNO3PS2
Common name
fosmethilan
IUPAC name
S-[[(2-chlorophenyl)(1-oxobutyl)amino]methyl] O,O-dimethyl phosphorodithioate
Molecular weight
367.852
clogP
4.106
clogS
-3.830
HBond Acceptor
4
HBond Donor
0
Total Polar
Surface Area
105.97
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00033 | butanamide |
|
NC(=O)CCC | 0.0062 |
| FDBF05102 | N-(2-chlorophenyl)formamide |
|
c1(c(cccc1)Cl)NC=O | 0.0003 |
| FDBF05104 | N-(2-chlorophenyl)-N-methylformamide |
|
c1(c(cccc1)Cl)N(C=O)C | 0.0003 |
| FDBF05105 | N-(2-chlorophenyl)acetamide |
|
c1(c(cccc1)Cl)NC(=O)C | 0.0003 |
| FDBF05107 | N-(2-chlorophenyl)butanamide |
|
CCCC(=O)Nc1c(cccc1)Cl | 0.0003 |
| FDBF05108 | N-(2-chlorophenyl)-N-methylacetamide |
|
c1(c(cccc1)Cl)N(C(=O)C)C | 0.0003 |
| FDBF05110 | N-(2-chlorophenyl)-N-(sulfanylmethyl)acetamide |
|
SCN(C(=O)C)c1c(cccc1)Cl | 0.0003 |
15 ,
2
