N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C16H12FN3O5S — CID 7794342

IUPACN-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H12FN3O5S/c17-11-6-2-3-7-12(11)18-16(23)19-14(21)9-20-15(22)10-5-1-4-8-13(10)26(20,24)25/h1-8H,9H2,(H2,18,19,21,23)
InChIKeyTVFYRJWBRGCWMZ-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.32
Rot. Bonds3

About N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 7794342) has the molecular formula C16H12FN3O5S and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID7794342
Molecular FormulaC16H12FN3O5S
Molecular Weight377.35 g/mol
Exact Mass377.05
IUPAC NameN-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H12FN3O5S/c17-11-6-2-3-7-12(11)18-16(23)19-14(21)9-20-15(22)10-5-1-4-8-13(10)26(20,24)25/h1-8H,9H2,(H2,18,19,21,23)
InChIKeyTVFYRJWBRGCWMZ-UHFFFAOYSA-N
XLogP1.32
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzenethiolate
CID 135787655
N-(tert-butylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2092208
N-(4-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 847960
N-(2,3-dimethylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 959550
N-(3-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 892331
N-(2-fluorophenyl)-2-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591762
N-[(2-fluorophenyl)carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626817
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3886099
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2210518
N-(2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905924
N-[(2R)-4-phenylbutan-2-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2364920

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 7794342) is N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is TVFYRJWBRGCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O5S/c17-11-6-2-3-7-12(11)18-16(23)19-14(21)9-20-15(22)10-5-1-4-8-13(10)26(20,24)25/h1-8H,9H2,(H2,18,19,21,23).
What are the key properties of N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 377.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamoyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7794342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).