2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C17H16ClN3O3S — CID 55540261

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CC2Sc3ccc(Cl)cc3NC2=O)ccn1
InChIInChI=1S/C17H16ClN3O3S/c1-24-16-6-10(4-5-19-16)9-20-15(22)8-14-17(23)21-12-7-11(18)2-3-13(12)25-14/h2-7,14H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyOVEGJKFLUHDVSU-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.86
Rot. Bonds5

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 55540261) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID55540261
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CC2Sc3ccc(Cl)cc3NC2=O)ccn1
InChIInChI=1S/C17H16ClN3O3S/c1-24-16-6-10(4-5-19-16)9-20-15(22)8-14-17(23)21-12-7-11(18)2-3-13(12)25-14/h2-7,14H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyOVEGJKFLUHDVSU-UHFFFAOYSA-N
XLogP2.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 55540261) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is COc1cc(CNC(=O)CC2Sc3ccc(Cl)cc3NC2=O)ccn1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is OVEGJKFLUHDVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-24-16-6-10(4-5-19-16)9-20-15(22)8-14-17(23)21-12-7-11(18)2-3-13(12)25-14/h2-7,14H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 377.85 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55540261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).