N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

C18H16N2O2S — CID 71680733

IUPACN-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1
InChIInChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
InChIKeyQMBOZLGNPMVERZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.62
Rot. Bonds5

About N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (PubChem CID 71680733) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
PubChem CID71680733
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1
InChIInChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
InChIKeyQMBOZLGNPMVERZ-UHFFFAOYSA-N
XLogP3.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (CID 71680733) is N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1.
What is the InChIKey of N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The InChIKey is QMBOZLGNPMVERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21).
What are the key properties of N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide has a molecular weight of 324.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 71680733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).