N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C17H15FN2O2S — CID 2460170

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H15FN2O2S/c1-20(9-11-2-5-13(18)6-3-11)17(22)12-4-7-15-14(8-12)19-16(21)10-23-15/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyIZDRHFPAUYJLMZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.14
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 2460170) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID2460170
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H15FN2O2S/c1-20(9-11-2-5-13(18)6-3-11)17(22)12-4-7-15-14(8-12)19-16(21)10-23-15/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyIZDRHFPAUYJLMZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 2460170) is N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is IZDRHFPAUYJLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-20(9-11-2-5-13(18)6-3-11)17(22)12-4-7-15-14(8-12)19-16(21)10-23-15/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 2460170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).