![CAS 21626-69-7 N-[4-(4-morpholinylsulphonyl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21626-69-7.gif)
CAS RN: 21626-69-7
N-[4-(4-morpholinylsulphonyl)phenyl]acetamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250907 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21626-69-7
- Purity/Analytical Methods: >99.0%
21626-69-7 / N-(4-morpholin-4-ylsulfonylphenyl)acetamide
Basic Information
CAS
21626-69-7
Multi CAS
No
Molecular Formula
C12H16N2O4S
Molecular Weight
284.330000
Exact Mass
284.083078
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C12H16N2O4S/c1-10(15)13-11-2-4-12(5-3-11)19(16,17)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKey
WSVGZFWJCRPWAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.32
TPSA
75.71
LogP / Solubility
WLOGP
0.67
MLOGP
0.6
XLogP3
-0.1
Consensus LogP
0.39
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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