4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide

C17H15N3O3S — CID 4784942

IUPAC4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C17H15N3O3S/c18-16(22)10-5-7-11(8-6-10)19-15(21)9-14-17(23)20-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyAJIZKQCODPBQFT-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.23
Rot. Bonds4

About 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide

4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide (PubChem CID 4784942) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
PubChem CID4784942
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C17H15N3O3S/c18-16(22)10-5-7-11(8-6-10)19-15(21)9-14-17(23)20-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyAJIZKQCODPBQFT-UHFFFAOYSA-N
XLogP2.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide (CID 4784942) is 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
The InChIKey is AJIZKQCODPBQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c18-16(22)10-5-7-11(8-6-10)19-15(21)9-14-17(23)20-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H2,18,22)(H,19,21)(H,20,23).
What are the key properties of 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4784942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).