N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide

C16H14N2O2S — CID 53213308

IUPACN-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
SMILESO=CNc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C16H14N2O2S/c19-11-17-13-6-7-15-14(8-13)18(16(20)10-21-15)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,19)
InChIKeyZIZHOAYOGXUIOU-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.89
Rot. Bonds4

About N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide

N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide (PubChem CID 53213308) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide.

Molecular Properties

Compound NameN-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
PubChem CID53213308
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
SMILESO=CNc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C16H14N2O2S/c19-11-17-13-6-7-15-14(8-13)18(16(20)10-21-15)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,19)
InChIKeyZIZHOAYOGXUIOU-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
CID 156827909
1-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)-3-(1H-indol-3-yl)urea
CID 156871891
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92667887
4-benzyl-N-(3-ethoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095111
4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115259339
4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid
CID 4073504
4-benzyl-6-[3-(furan-2-yl)propanoyl]-1,4-benzothiazin-3-one
CID 152959970
N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
CID 168652594
3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
CID 4004507
4-[(2,6-dichlorophenyl)methyl]-3-oxo-N-phenyl-1,4-benzothiazine-6-carboxamide
CID 129162121

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide?
The IUPAC name of N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide (CID 53213308) is N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide.
What is the SMILES notation for N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide?
The canonical SMILES for N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide is O=CNc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2.
What is the InChIKey of N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide?
The InChIKey is ZIZHOAYOGXUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-11-17-13-6-7-15-14(8-13)18(16(20)10-21-15)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,19).
What are the key properties of N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide?
N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide has a molecular weight of 298.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide is sourced from PubChem (CID 53213308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).