3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide

C17H16N2O2S — CID 7667645

IUPAC3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(18-13-6-2-1-3-7-13)10-11-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20)
InChIKeyKUFVYVAXDXCTPD-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.15
Rot. Bonds4

About 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide

3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide (PubChem CID 7667645) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide
PubChem CID7667645
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(18-13-6-2-1-3-7-13)10-11-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20)
InChIKeyKUFVYVAXDXCTPD-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide?
The IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide (CID 7667645) is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1.
What is the InChIKey of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide?
The InChIKey is KUFVYVAXDXCTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(18-13-6-2-1-3-7-13)10-11-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20).
What are the key properties of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide?
3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide has a molecular weight of 312.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 7667645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).