N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C17H16N2O3S — CID 51194798

IUPACN-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C17H16N2O3S/c1-22-13-6-4-5-12(9-13)18-16(20)10-19-14-7-2-3-8-15(14)23-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySEWLXMXKJJTNKS-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.77
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 51194798) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID51194798
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C17H16N2O3S/c1-22-13-6-4-5-12(9-13)18-16(20)10-19-14-7-2-3-8-15(14)23-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySEWLXMXKJJTNKS-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777148
N-(3-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777390
N-(3-methoxyphenyl)-2-[(2R)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 40504678
N-(3-acetamido-4-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 35347666
N-(3-methoxyphenyl)-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 20903114
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8922231
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 134053094
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 39173650

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 51194798) is N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is COc1cccc(NC(=O)CN2C(=O)CSc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is SEWLXMXKJJTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-13-6-4-5-12(9-13)18-16(20)10-19-14-7-2-3-8-15(14)23-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 51194798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).