2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide

C16H14N2O2S — CID 110771518

IUPAC2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CS2)Nc1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15(17-12-4-2-1-3-5-12)9-11-6-7-14-13(8-11)18-16(20)10-21-14/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyCVZHZYGVWDTAFY-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide

2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide (PubChem CID 110771518) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
PubChem CID110771518
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CS2)Nc1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15(17-12-4-2-1-3-5-12)9-11-6-7-14-13(8-11)18-16(20)10-21-14/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyCVZHZYGVWDTAFY-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771553
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771530
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110771494
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771540
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide (CID 110771518) is 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide is O=C(Cc1ccc2c(c1)NC(=O)CS2)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide?
The InChIKey is CVZHZYGVWDTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(17-12-4-2-1-3-5-12)9-11-6-7-14-13(8-11)18-16(20)10-21-14/h1-8H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide?
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 110771518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).