N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C22H18N2O4S — CID 42009236

IUPACN-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C22H18N2O4S/c1-27-18-4-2-3-5-19(18)28-16-9-7-15(8-10-16)23-22(26)14-6-11-20-17(12-14)24-21(25)13-29-20/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyTXQNIGTVBDXIQC-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.78
Rot. Bonds5

About N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 42009236) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID42009236
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C22H18N2O4S/c1-27-18-4-2-3-5-19(18)28-16-9-7-15(8-10-16)23-22(26)14-6-11-20-17(12-14)24-21(25)13-29-20/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyTXQNIGTVBDXIQC-UHFFFAOYSA-N
XLogP4.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46798733
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26778059
[4-[(2-methoxybenzoyl)amino]phenyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 26700219
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51145660
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 42009236) is N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is TXQNIGTVBDXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-27-18-4-2-3-5-19(18)28-16-9-7-15(8-10-16)23-22(26)14-6-11-20-17(12-14)24-21(25)13-29-20/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 42009236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).