N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide

C16H14FN3O2S — CID 51064581

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C16H14FN3O2S/c1-2-13(22-14-9-4-3-6-10(14)17)16(21)18-11-7-5-8-12-15(11)20-23-19-12/h3-9,13H,2H2,1H3,(H,18,21)
InChIKeyRVKFQJYFHAPBNJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.63
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide (PubChem CID 51064581) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide
PubChem CID51064581
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C16H14FN3O2S/c1-2-13(22-14-9-4-3-6-10(14)17)16(21)18-11-7-5-8-12-15(11)20-23-19-12/h3-9,13H,2H2,1H3,(H,18,21)
InChIKeyRVKFQJYFHAPBNJ-UHFFFAOYSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752
2-(2-fluorophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 44791669
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 35122221
2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133184799

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide (CID 51064581) is N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide?
The InChIKey is RVKFQJYFHAPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-2-13(22-14-9-4-3-6-10(14)17)16(21)18-11-7-5-8-12-15(11)20-23-19-12/h3-9,13H,2H2,1H3,(H,18,21).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide has a molecular weight of 331.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 51064581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).