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CAS 54951-54-1 N-[4-[(dimethylamino)sulphonyl]phenyl]acetamide molecular structure lightbox
CAS RN: 54951-54-1

N-[4-[(dimethylamino)sulphonyl]phenyl]acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54951-54-1
  • Purity/Analytical Methods: >99.0%
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54951-54-1 / N-[4-(dimethylsulfamoyl)phenyl]acetamide

Standard CAS: 54951-54-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54951-54-1
Multi CAS
Yes
Molecular Formula
C10H14N2O3S
Molecular Weight
242.300000
Exact Mass
242.072513
InChI
InChI=1S/C10H14N2O3S/c1-8(13)11-9-4-6-10(7-5-9)16(14,15)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
ZABKTFBXRPVLAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.62
TPSA
66.48

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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