N-(2-amino-2-methyl-propyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide

ID: ALA4780941

Chembl Id: CHEMBL4780941

PubChem CID: 155146424

Max Phase: Preclinical

Molecular Formula: C15H20F4N2O2S

Molecular Weight: 368.40

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(C)(N)CN(C1(c2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O

Standard InChI:  InChI=1S/C15H20F4N2O2S/c1-13(2,20)9-21(24(3,22)23)14(6-7-14)10-4-5-12(16)11(8-10)15(17,18)19/h4-5,8H,6-7,9,20H2,1-3H3

Standard InChI Key:  UEYWXIPGHUSHBK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4780941

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 368.40

Molecular Weight (Monoisotopic): 368.1182

AlogP: 2.83

#Rotatable Bonds: 5

Polar Surface Area: 63.40

Molecular Species: BASE

HBA: 3

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 9.60

CX LogP: 1.95

CX LogD: -0.19

Aromatic Rings: 1

Heavy Atoms: 24

QED Weighted: 0.81

Np Likeness Score: -0.91

References

1. Blass BE..  (2020)  Novel Potassium Channel Inhibitors.,  11  (12.0): [PMID:33335651] [10.1021/acsmedchemlett.0c00569]

Source

Source(1):

• Scientific Literature