4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C24H23N3O5S — CID 43036901

IUPAC4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)ccc2C)cc1
InChIInChI=1S/C24H23N3O5S/c1-14-4-8-18(9-5-14)27-33(30,31)22-12-17(7-6-15(22)2)24(29)25-19-10-11-21-20(13-19)26-23(28)16(3)32-21/h4-13,16,27H,1-3H3,(H,25,29)(H,26,28)
InChIKeyQXFRRPDVROULNL-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.08
Rot. Bonds5

About 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 43036901) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID43036901
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)ccc2C)cc1
InChIInChI=1S/C24H23N3O5S/c1-14-4-8-18(9-5-14)27-33(30,31)22-12-17(7-6-15(22)2)24(29)25-19-10-11-21-20(13-19)26-23(28)16(3)32-21/h4-13,16,27H,1-3H3,(H,25,29)(H,26,28)
InChIKeyQXFRRPDVROULNL-UHFFFAOYSA-N
XLogP4.08
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide with MolForge

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Related Compounds

2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844857
5-bromo-2-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844847
5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 84851488
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 41143956
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 110778186
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-(prop-2-enoylamino)benzamide
CID 166403537
3-bromo-4-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9147464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 43036901) is 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)ccc2C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QXFRRPDVROULNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-14-4-8-18(9-5-14)27-33(30,31)22-12-17(7-6-15(22)2)24(29)25-19-10-11-21-20(13-19)26-23(28)16(3)32-21/h4-13,16,27H,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 465.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43036901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).