Mrv1572004221603562D          

 18 18  0  0  1  0            999 V2000
    3.6496   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -1.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6866   -0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -1.1952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  6  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 17 10  1  0  0  0  0
  9 18  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM017430

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@](C)(COC)N(C(=O)CCl)C1=C(C)SC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1

> <INCHI_KEY>
JLYFCTQDENRSOL-VIFPVBQESA-N

> <FORMULA>
C12H18ClNO2S

> <MOLECULAR_WEIGHT>
275.79

> <EXACT_MASS>
275.0746777

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
28.466924962217554

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide

> <ALOGPS_LOGP>
2.75

> <JCHEM_LOGP>
2.9216897300000007

> <ALOGPS_LOGS>
-3.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.7276928103649

> <JCHEM_PKA_STRONGEST_BASIC>
-4.105593389208651

> <JCHEM_POLAR_SURFACE_AREA>
29.540000000000003

> <JCHEM_REFRACTIVITY>
71.4557

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.32e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dimethenamid-P

> <CAS>
163515-14-8

> <SYNONYMS>
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide

$$$$