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

C18H16N4O3S — CID 46291416

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCCC(C(=O)Nc1cccc2nsnc12)N1C(=O)COc2ccccc21
InChIInChI=1S/C18H16N4O3S/c1-2-13(22-14-8-3-4-9-15(14)25-10-16(22)23)18(24)19-11-6-5-7-12-17(11)21-26-20-12/h3-9,13H,2,10H2,1H3,(H,19,24)
InChIKeyFAJIBFJMDQFRQY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.83
Rot. Bonds4

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

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide (PubChem CID 46291416) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide
PubChem CID46291416
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCCC(C(=O)Nc1cccc2nsnc12)N1C(=O)COc2ccccc21
InChIInChI=1S/C18H16N4O3S/c1-2-13(22-14-8-3-4-9-15(14)25-10-16(22)23)18(24)19-11-6-5-7-12-17(11)21-26-20-12/h3-9,13H,2,10H2,1H3,(H,19,24)
InChIKeyFAJIBFJMDQFRQY-UHFFFAOYSA-N
XLogP2.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.83
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)butanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide (CID 46291416) is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide is CCC(C(=O)Nc1cccc2nsnc12)N1C(=O)COc2ccccc21.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
The InChIKey is FAJIBFJMDQFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-2-13(22-14-8-3-4-9-15(14)25-10-16(22)23)18(24)19-11-6-5-7-12-17(11)21-26-20-12/h3-9,13H,2,10H2,1H3,(H,19,24).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)butanamide has a molecular weight of 368.42 g/mol, XLogP of 2.83, 4 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)butanamide is sourced from PubChem (CID 46291416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).