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

C19H18N2O4S — CID 2919332

IUPACethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-2-25-19(24)12-7-9-13(10-8-12)20-17(22)11-16-18(23)21-14-5-3-4-6-15(14)26-16/h3-10,16H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQWFFNPUNYLOACL-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.30
Rot. Bonds5

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

ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate (PubChem CID 2919332) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
PubChem CID2919332
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Nameethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-2-25-19(24)12-7-9-13(10-8-12)20-17(22)11-16-18(23)21-14-5-3-4-6-15(14)26-16/h3-10,16H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQWFFNPUNYLOACL-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate (CID 2919332) is ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
The InChIKey is QWFFNPUNYLOACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-25-19(24)12-7-9-13(10-8-12)20-17(22)11-16-18(23)21-14-5-3-4-6-15(14)26-16/h3-10,16H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate has a molecular weight of 370.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).