N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C17H15ClN2O3S — CID 75767649

IUPACN-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Sc3ccccc3NC2=O)cc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-17(16(22)20-12-5-3-4-6-14(12)24-17)15(21)19-10-7-8-13(23-2)11(18)9-10/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJNKOVSLTGKQCNC-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.79
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75767649) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75767649
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Sc3ccccc3NC2=O)cc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-17(16(22)20-12-5-3-4-6-14(12)24-17)15(21)19-10-7-8-13(23-2)11(18)9-10/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJNKOVSLTGKQCNC-UHFFFAOYSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211787
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75767649) is N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is COc1ccc(NC(=O)C2(C)Sc3ccccc3NC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is JNKOVSLTGKQCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-17(16(22)20-12-5-3-4-6-14(12)24-17)15(21)19-10-7-8-13(23-2)11(18)9-10/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).