2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide

C15H11FN2O2S — CID 5301513

IUPAC2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1
InChIInChI=1S/C15H11FN2O2S/c16-10-6-7-12-13(8-10)21-18(15(12)20)9-14(19)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,19)
InChIKeyFSOOITRATZAWMN-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.84
Rot. Bonds3

About 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide

2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide (PubChem CID 5301513) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
PubChem CID5301513
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1
InChIInChI=1S/C15H11FN2O2S/c16-10-6-7-12-13(8-10)21-18(15(12)20)9-14(19)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,19)
InChIKeyFSOOITRATZAWMN-UHFFFAOYSA-N
XLogP2.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1,2-benzisothiazol-3-(2H)-one
CID 164981
2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CID 935415
5-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 22416235
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
CID 1510389
6-Fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one
CID 1510379
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16749996
N-[4-(1-azepanylsulfonyl)phenyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
CID 2206420
6-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 1510378
2-(3-Iodophenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CID 25181207
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbenzamide
CID 16749975
acs.jmedchem.1c00409_ST.172
CID 81434740
acs.jmedchem.1c00409_ST.181
CID 162533685

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide (CID 5301513) is 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide is O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccccc1.
What is the InChIKey of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
The InChIKey is FSOOITRATZAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-10-6-7-12-13(8-10)21-18(15(12)20)9-14(19)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,19).
What are the key properties of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide?
2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide has a molecular weight of 302.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 5301513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).