2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide

C16H13FN2O3S — CID 5304230

IUPAC2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H13FN2O3S/c1-22-12-5-3-11(4-6-12)18-15(20)9-19-16(21)13-7-2-10(17)8-14(13)23-19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyYCQWBQTYIHPKFS-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.85
Rot. Bonds4

About 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide

2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 5304230) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID5304230
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H13FN2O3S/c1-22-12-5-3-11(4-6-12)18-15(20)9-19-16(21)13-7-2-10(17)8-14(13)23-19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyYCQWBQTYIHPKFS-UHFFFAOYSA-N
XLogP2.85
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-1,2-benzothiazol-3-one
CID 11054313
6-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 1519965
2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
5-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 25181243
Scp-1
CID 667575
N-(3,4-dimethoxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 1084227
N-cyclopentyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2684461
N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2957568
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-4-methylsulfanylbutanamide
CID 3137674
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 3154522

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide (CID 5304230) is 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc1.
What is the InChIKey of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is YCQWBQTYIHPKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-22-12-5-3-11(4-6-12)18-15(20)9-19-16(21)13-7-2-10(17)8-14(13)23-19/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide?
2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 5304230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).