4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

C19H19FN2O2S — CID 75768064

IUPAC4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)NCc2ccccc2F)Sc2ccccc21
InChIInChI=1S/C19H19FN2O2S/c1-3-22-15-10-6-7-11-16(15)25-19(2,18(22)24)17(23)21-12-13-8-4-5-9-14(13)20/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyPQCDGUGBFCOEIC-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.36
Rot. Bonds4

About 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75768064) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75768064
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)NCc2ccccc2F)Sc2ccccc21
InChIInChI=1S/C19H19FN2O2S/c1-3-22-15-10-6-7-11-16(15)25-19(2,18(22)24)17(23)21-12-13-8-4-5-9-14(13)20/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyPQCDGUGBFCOEIC-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768076
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide
CID 75768040
N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51195485
4-benzyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxylic acid
CID 10829004
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 75768029
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
1-N'-tert-butyl-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975673
4-ethyl-2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-1,4-benzoxazin-3-one
CID 75768417
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75768064) is 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)NCc2ccccc2F)Sc2ccccc21.
What is the InChIKey of 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is PQCDGUGBFCOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-3-22-15-10-6-7-11-16(15)25-19(2,18(22)24)17(23)21-12-13-8-4-5-9-14(13)20/h4-11H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75768064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).