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

C18H18N2O3S — CID 31721130

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H18N2O3S/c21-17(7-4-10-23-14-5-2-1-3-6-14)19-13-8-9-16-15(11-13)20-18(22)12-24-16/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)(H,20,22)
InChIKeyMAJUDBVHCUONPZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.53
Rot. Bonds6

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

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide (PubChem CID 31721130) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
PubChem CID31721130
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C18H18N2O3S/c21-17(7-4-10-23-14-5-2-1-3-6-14)19-13-8-9-16-15(11-13)20-18(22)12-24-16/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)(H,20,22)
InChIKeyMAJUDBVHCUONPZ-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 134048745
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
4-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 35875716
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
3-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 39641384
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 38723282
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
CID 110405900
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide (CID 31721130) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide?
The InChIKey is MAJUDBVHCUONPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(7-4-10-23-14-5-2-1-3-6-14)19-13-8-9-16-15(11-13)20-18(22)12-24-16/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)(H,20,22).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide has a molecular weight of 342.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide is sourced from PubChem (CID 31721130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).