N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C17H15FN2O2S — CID 75797088

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(C)Sc3ccccc3NC2=O)cc1F
InChIInChI=1S/C17H15FN2O2S/c1-10-7-8-11(9-12(10)18)19-15(21)17(2)16(22)20-13-5-3-4-6-14(13)23-17/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQTAFKDWKFXOUGX-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.58
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75797088) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75797088
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(C)Sc3ccccc3NC2=O)cc1F
InChIInChI=1S/C17H15FN2O2S/c1-10-7-8-11(9-12(10)18)19-15(21)17(2)16(22)20-13-5-3-4-6-14(13)23-17/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQTAFKDWKFXOUGX-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767649
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
CID 75767660
N-(2-methoxy-5-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75797079
2-methyl-3-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686314
N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769204
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(3-fluoro-4-methylphenyl)cyclohexane-1-carboxamide
CID 88600403
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 56686326
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
CID 75770004

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75797088) is N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is Cc1ccc(NC(=O)C2(C)Sc3ccccc3NC2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is QTAFKDWKFXOUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-10-7-8-11(9-12(10)18)19-15(21)17(2)16(22)20-13-5-3-4-6-14(13)23-17/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75797088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).