N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide

C21H14F2N2O2S — CID 7948603

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C21H14F2N2O2S/c22-14-10-16(23)20-18(11-14)28-21(25-20)24-19(26)12-27-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25,26)
InChIKeyGBULOCJIRABESW-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.26
Rot. Bonds5

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide (PubChem CID 7948603) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide
PubChem CID7948603
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C21H14F2N2O2S/c22-14-10-16(23)20-18(11-14)28-21(25-20)24-19(26)12-27-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25,26)
InChIKeyGBULOCJIRABESW-UHFFFAOYSA-N
XLogP5.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide 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-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989031
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 19219427
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 4-phenylbenzoate
CID 23761304
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2550667

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide (CID 7948603) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)Nc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is GBULOCJIRABESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c22-14-10-16(23)20-18(11-14)28-21(25-20)24-19(26)12-27-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25,26).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 396.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 7948603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).