N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C17H15ClN2O3S — CID 75769204

IUPACN-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O3S/c1-17(15(21)19-11-5-3-4-6-14(11)24-17)16(22)20-12-9-10(18)7-8-13(12)23-2/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyRWECPFCJWRHIRO-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.79
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75769204) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75769204
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O3S/c1-17(15(21)19-11-5-3-4-6-14(11)24-17)16(22)20-12-9-10(18)7-8-13(12)23-2/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyRWECPFCJWRHIRO-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-methoxy-5-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75797079
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
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767747
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
(2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 98370706
2-methyl-3-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686314
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
CID 55945590
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75769204) is N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)C1(C)Sc2ccccc2NC1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is RWECPFCJWRHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-17(15(21)19-11-5-3-4-6-14(11)24-17)16(22)20-12-9-10(18)7-8-13(12)23-2/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).