3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide

C17H13FN2O2S — CID 71683094

IUPAC3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
SMILESO=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1
InChIInChI=1S/C17H13FN2O2S/c18-13-7-3-1-5-11(13)9-10-15(21)20-17-19-14-8-4-2-6-12(14)16(22)23-17/h1-8H,9-10H2,(H,19,20,21)
InChIKeyLFCHBFYVTBLJSK-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.37
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide

3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide (PubChem CID 71683094) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
PubChem CID71683094
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
SMILESO=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1
InChIInChI=1S/C17H13FN2O2S/c18-13-7-3-1-5-11(13)9-10-15(21)20-17-19-14-8-4-2-6-12(14)16(22)23-17/h1-8H,9-10H2,(H,19,20,21)
InChIKeyLFCHBFYVTBLJSK-UHFFFAOYSA-N
XLogP3.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide (CID 71683094) is 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide is O=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The InChIKey is LFCHBFYVTBLJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-13-7-3-1-5-11(13)9-10-15(21)20-17-19-14-8-4-2-6-12(14)16(22)23-17/h1-8H,9-10H2,(H,19,20,21).
What are the key properties of 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 71683094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).