N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C16H12N4O3S — CID 46291397

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1cccc2nsnc12
InChIInChI=1S/C16H12N4O3S/c21-14(17-10-4-3-5-11-16(10)19-24-18-11)8-20-12-6-1-2-7-13(12)23-9-15(20)22/h1-7H,8-9H2,(H,17,21)
InChIKeyGFPUGISOALEYAR-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.06
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 46291397) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID46291397
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1cccc2nsnc12
InChIInChI=1S/C16H12N4O3S/c21-14(17-10-4-3-5-11-16(10)19-24-18-11)8-20-12-6-1-2-7-13(12)23-9-15(20)22/h1-7H,8-9H2,(H,17,21)
InChIKeyGFPUGISOALEYAR-UHFFFAOYSA-N
XLogP2.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 46291397) is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is GFPUGISOALEYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-14(17-10-4-3-5-11-16(10)19-24-18-11)8-20-12-6-1-2-7-13(12)23-9-15(20)22/h1-7H,8-9H2,(H,17,21).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 46291397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).