N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C17H16N2O4S — CID 46798733

IUPACN-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C17H16N2O4S/c1-22-11-4-5-14(23-2)12(8-11)19-17(21)10-3-6-15-13(7-10)18-16(20)9-24-15/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPJLFMSBETUGNOU-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.00
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 46798733) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID46798733
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C17H16N2O4S/c1-22-11-4-5-14(23-2)12(8-11)19-17(21)10-3-6-15-13(7-10)18-16(20)9-24-15/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPJLFMSBETUGNOU-UHFFFAOYSA-N
XLogP3.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N'-(4-butoxy-3-methoxybenzoyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 25442206
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51145660
N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 40616547
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292145
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26778059
[2-(2-methoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292138
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 46798733) is N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is PJLFMSBETUGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-11-4-5-14(23-2)12(8-11)19-17(21)10-3-6-15-13(7-10)18-16(20)9-24-15/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 46798733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).