N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide

C23H20N2O2S — CID 55333571

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
SMILESCc1ccccc1N(C(=O)C(C)Oc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C23H20N2O2S/c1-16-10-6-8-14-20(16)25(23-24-19-13-7-9-15-21(19)28-23)22(26)17(2)27-18-11-4-3-5-12-18/h3-15,17H,1-2H3
InChIKeyAYNZGQCMZVWAAL-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.74
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide (PubChem CID 55333571) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
PubChem CID55333571
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
SMILESCc1ccccc1N(C(=O)C(C)Oc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C23H20N2O2S/c1-16-10-6-8-14-20(16)25(23-24-19-13-7-9-15-21(19)28-23)22(26)17(2)27-18-11-4-3-5-12-18/h3-15,17H,1-2H3
InChIKeyAYNZGQCMZVWAAL-UHFFFAOYSA-N
XLogP5.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-N-hexyl-2-phenoxypropanamide
CID 4291829
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
CID 52533642
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 55333760
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604825
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8001424
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 55358548
N-(1,3-benzothiazol-2-yl)-7-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2472979
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
CID 2384867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide (CID 55333571) is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide is Cc1ccccc1N(C(=O)C(C)Oc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide?
The InChIKey is AYNZGQCMZVWAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16-10-6-8-14-20(16)25(23-24-19-13-7-9-15-21(19)28-23)22(26)17(2)27-18-11-4-3-5-12-18/h3-15,17H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide has a molecular weight of 388.49 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide is sourced from PubChem (CID 55333571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).