N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide

C16H14N2OS — CID 7205741

IUPACN-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Sc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-11(19)17-16-15(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)20-16/h2-10,16H,1H3,(H,17,19)/t16-/m1/s1
InChIKeyXOWGAZQAVFPSEI-MRXNPFEDSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds2

About N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide

N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 7205741) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide
PubChem CID7205741
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Sc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-11(19)17-16-15(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)20-16/h2-10,16H,1H3,(H,17,19)/t16-/m1/s1
InChIKeyXOWGAZQAVFPSEI-MRXNPFEDSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide (CID 7205741) is N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide is CC(=O)N[C@@H]1Sc2ccccc2N=C1c1ccccc1.
What is the InChIKey of N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is XOWGAZQAVFPSEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11(19)17-16-15(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)20-16/h2-10,16H,1H3,(H,17,19)/t16-/m1/s1.
What are the key properties of N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide?
N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-phenyl-2H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 7205741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).