N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

C17H15FN2O3S — CID 56608041

IUPACN-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc2c(c1)SC(C(=O)Nc1ccc(F)cc1)C(=O)N2C
InChIInChI=1S/C17H15FN2O3S/c1-20-13-8-7-12(23-2)9-14(13)24-15(17(20)22)16(21)19-11-5-3-10(18)4-6-11/h3-9,15H,1-2H3,(H,19,21)
InChIKeyNALGQCDUTDFWBC-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.91
Rot. Bonds3

About N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 56608041) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID56608041
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc2c(c1)SC(C(=O)Nc1ccc(F)cc1)C(=O)N2C
InChIInChI=1S/C17H15FN2O3S/c1-20-13-8-7-12(23-2)9-14(13)24-15(17(20)22)16(21)19-11-5-3-10(18)4-6-11/h3-9,15H,1-2H3,(H,19,21)
InChIKeyNALGQCDUTDFWBC-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide
CID 56629241
1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51148416
N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134138570
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56624581
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(4-fluorophenyl)-2-[(5S)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318124
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395
(6R)-2-(3-fluorophenyl)imino-N-(4-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114290
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
7-methoxy-N,10-dimethylphenothiazin-3-amine
CID 70686558

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 56608041) is N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is COc1ccc2c(c1)SC(C(=O)Nc1ccc(F)cc1)C(=O)N2C.
What is the InChIKey of N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is NALGQCDUTDFWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-20-13-8-7-12(23-2)9-14(13)24-15(17(20)22)16(21)19-11-5-3-10(18)4-6-11/h3-9,15H,1-2H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 56608041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).