N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide

C17H15FN2O2S — CID 46352529

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
SMILESCCn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H15FN2O2S/c1-2-20-14-8-7-13(10-15(14)23-17(20)22)19-16(21)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,21)
InChIKeyRJSOBMJJEGURKX-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.40
Rot. Bonds4

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 46352529) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
PubChem CID46352529
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
SMILESCCn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H15FN2O2S/c1-2-20-14-8-7-13(10-15(14)23-17(20)22)19-16(21)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,21)
InChIKeyRJSOBMJJEGURKX-UHFFFAOYSA-N
XLogP3.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(4-fluorophenyl)thiourea
CID 100548674
2-(4-ethylsulfanylphenyl)-N-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-1,3-benzothiazol-6-yl]acetamide
CID 145232268
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 100545172
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 100537432
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
CID 100544474
3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100547267
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100547326
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100537338
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 22577350
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 133235029
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100540537

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide (CID 46352529) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide is CCn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is RJSOBMJJEGURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-2-20-14-8-7-13(10-15(14)23-17(20)22)19-16(21)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,21).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46352529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).