N-(6-((4-cyclohexylphenyl)sulfonamido)benzo[d]thiazol-2-yl)acetamide

ID: ALA5282844

Chembl Id: CHEMBL5282844

Max Phase: Preclinical

Molecular Formula: C21H23N3O3S2

Molecular Weight: 429.57

Names and Identifiers

Canonical SMILES:  CC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1

Standard InChI:  InChI=1S/C21H23N3O3S2/c1-14(25)22-21-23-19-12-9-17(13-20(19)28-21)24-29(26,27)18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15,24H,2-6H2,1H3,(H,22,23,25)

Standard InChI Key:  MUCASCXOEIYFCT-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5282844

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 429.57

Molecular Weight (Monoisotopic): 429.1181

AlogP: 5.10

#Rotatable Bonds: 5

Polar Surface Area: 88.16

Molecular Species: NEUTRAL

HBA: 5

HBD: 2

#RO5 Violations: 1

HBA (Lipinski): 6

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 7.60

CX Basic pKa:

CX LogP: 4.64

CX LogD: 4.42

Aromatic Rings: 3

Heavy Atoms: 29

QED Weighted: 0.59

Np Likeness Score: -1.95

References

1. Sharma PC, Bansal KK, Sharma A, Sharma D, Deep A..  (2020)  Thiazole-containing compounds as therapeutic targets for cancer therapy.,  188  [PMID:31926469] [10.1016/j.ejmech.2019.112016]

Source

Source(1):

• Scientific Literature