4-(Acetylamino)-N-[2-amino-5-(2-thienyl)phenyl]benzamide
C19H17N3O2S
849234-64-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 6.4718 2.6675 0.0 0
M  V30 2 C 7.2419 4.0012 0.0 0
M  V30 3 O 6.4718 5.3348 0.0 0
M  V30 4 N 4.9318 0.0000 0.0 0
M  V30 5 N 13.4020 4.0012 0.0 0
M  V30 6 C 14.1720 5.3348 0.0 0
M  V30 7 C 13.4020 6.6685 0.0 0
M  V30 8 O 15.7120 5.3348 0.0 0
M  V30 9 C 2.6218 4.0012 0.0 0
M  V30 10 C 4.1618 4.0012 0.0 0
M  V30 11 C 1.8517 2.6675 0.0 0
M  V30 12 C 4.9318 2.6675 0.0 0
M  V30 13 C 2.6218 1.3337 0.0 0
M  V30 14 C 4.1618 1.3337 0.0 0
M  V30 15 C 1.8517 5.3348 0.0 0
M  V30 16 C 0.3202 5.4958 0.0 0
M  V30 17 S 2.4782 6.7418 0.0 0
M  V30 18 C 0.0000 7.0022 0.0 0
M  V30 19 C 1.3337 7.7722 0.0 0
M  V30 20 C 8.7819 4.0012 0.0 0
M  V30 21 C 9.5519 5.3348 0.0 0
M  V30 22 C 9.5519 2.6675 0.0 0
M  V30 23 C 11.0919 5.3348 0.0 0
M  V30 24 C 11.0919 2.6675 0.0 0
M  V30 25 C 11.8620 4.0012 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 12
M  V30 3 2 2 3
M  V30 4 1 2 20
M  V30 5 1 4 14
M  V30 6 1 5 6
M  V30 7 1 5 25
M  V30 8 1 6 7
M  V30 9 2 6 8
M  V30 10 2 9 10
M  V30 11 1 9 11
M  V30 12 1 9 15
M  V30 13 1 10 12
M  V30 14 2 11 13
M  V30 15 2 12 14
M  V30 16 1 13 14
M  V30 17 2 15 16
M  V30 18 1 15 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 2 18 19
M  V30 22 2 20 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 2 22 24
M  V30 26 2 23 25
M  V30 27 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
849234-64-6

> <cas.index.name>
Benzamide, 4-(acetylamino)-N-[2-amino-5-(2-thienyl)phenyl]-

> <molecular.formula>
C19H17N3O2S

> <molecular.weight>
351.42

> <boiling.point.predicted>
531.8±50.0 °C    Press: 760 Torr

> <density.predicted>
1.359±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.87±0.70    Most Acidic Temp: 25 °C

$$$$
