2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide

C16H15N5O7S — CID 110831873

IUPAC2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C16H15N5O7S/c1-9-16(23)20(15-12(28-9)6-7-13(19-15)21(24)25)8-14(22)18-10-2-4-11(5-3-10)29(17,26)27/h2-7,9H,8H2,1H3,(H,18,22)(H2,17,26,27)
InChIKeyAFTWSONPPATYIO-UHFFFAOYSA-N
MW421.39 g/mol
LogP0.39
Rot. Bonds5

About 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide

2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 110831873) has the molecular formula C16H15N5O7S and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID110831873
Molecular FormulaC16H15N5O7S
Molecular Weight421.39 g/mol
Exact Mass421.07
IUPAC Name2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C16H15N5O7S/c1-9-16(23)20(15-12(28-9)6-7-13(19-15)21(24)25)8-14(22)18-10-2-4-11(5-3-10)29(17,26)27/h2-7,9H,8H2,1H3,(H,18,22)(H2,17,26,27)
InChIKeyAFTWSONPPATYIO-UHFFFAOYSA-N
XLogP0.39
TPSA174.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide
CID 110831878
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831814
2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110831860
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831830
2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide
CID 110831660
2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16963563
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831578
4-[[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409301
2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-fluorophenyl)acetamide
CID 23409151
2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 41324108
2-ethyl-6-nitro-4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 110831927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide (CID 110831873) is 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide is CC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is AFTWSONPPATYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O7S/c1-9-16(23)20(15-12(28-9)6-7-13(19-15)21(24)25)8-14(22)18-10-2-4-11(5-3-10)29(17,26)27/h2-7,9H,8H2,1H3,(H,18,22)(H2,17,26,27).
What are the key properties of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 421.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 110831873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).