N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide

C17H18N2O4S — CID 110713363

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1cccc2c1N(C)C(=O)CO2
InChIInChI=1S/C17H18N2O4S/c1-12-6-3-4-7-13(12)11-24(21,22)18-14-8-5-9-15-17(14)19(2)16(20)10-23-15/h3-9,18H,10-11H2,1-2H3
InChIKeySTXZFFGCCGBGBD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.29
Rot. Bonds4

About N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110713363) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110713363
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1cccc2c1N(C)C(=O)CO2
InChIInChI=1S/C17H18N2O4S/c1-12-6-3-4-7-13(12)11-24(21,22)18-14-8-5-9-15-17(14)19(2)16(20)10-23-15/h3-9,18H,10-11H2,1-2H3
InChIKeySTXZFFGCCGBGBD-UHFFFAOYSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713348
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713352
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide
CID 110713334
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
CID 110713295
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
CID 110713280
N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
CID 167899104
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 62021830
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
CID 110726362
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110736605
1-(2-methylphenyl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738581

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide (CID 110713363) is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1cccc2c1N(C)C(=O)CO2.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is STXZFFGCCGBGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-6-3-4-7-13(12)11-24(21,22)18-14-8-5-9-15-17(14)19(2)16(20)10-23-15/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110713363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).