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

C11H12N2O3S — CID 11345758

IUPACN-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCONC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C11H12N2O3S/c1-16-13-10(14)6-9-11(15)12-7-4-2-3-5-8(7)17-9/h2-5,9H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyOQWRFCAQZSOIIF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.17
Rot. Bonds3

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

N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 11345758) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID11345758
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCONC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C11H12N2O3S/c1-16-13-10(14)6-9-11(15)12-7-4-2-3-5-8(7)17-9/h2-5,9H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyOQWRFCAQZSOIIF-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 11345758) is N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CONC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is OQWRFCAQZSOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-16-13-10(14)6-9-11(15)12-7-4-2-3-5-8(7)17-9/h2-5,9H,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 11345758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).