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

C19H18N4O4S — CID 170411201

IUPACN-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cc(=O)[nH]2)c1
InChIInChI=1S/C19H18N4O4S/c1-12-6-3-4-9-15(12)16-11-17(24)22-19(21-16)23-28(26,27)14-8-5-7-13(10-14)18(25)20-2/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeySTOWDFBYWKVAGN-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.91
Rot. Bonds5

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

N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide (PubChem CID 170411201) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide
PubChem CID170411201
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cc(=O)[nH]2)c1
InChIInChI=1S/C19H18N4O4S/c1-12-6-3-4-9-15(12)16-11-17(24)22-19(21-16)23-28(26,27)14-8-5-7-13(10-14)18(25)20-2/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeySTOWDFBYWKVAGN-UHFFFAOYSA-N
XLogP1.91
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 170412146
3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-N-[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]benzenesulfonamide
CID 163246310
N-[(3S)-1-benzylpiperidin-3-yl]-3-[[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide
CID 163243759
3-[[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]-N-methyl-N-[4-(propan-2-ylamino)cyclohexyl]benzamide
CID 170418644
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]-3-(4-spiro[3.4]octan-2-yl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 170667381
N-[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]-3-[4-(4-fluorocyclohexyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 170667492
3-[(7R)-4-benzyl-7-(2-methylpropyl)-1,4-diazepane-1-carbonyl]-N-[4-(2,6-dimethylphenyl)-6-oxo-1H-pyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
CID 163246473
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 142738684
N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246961
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide (CID 170411201) is N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide is CNC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cc(=O)[nH]2)c1.
What is the InChIKey of N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide?
The InChIKey is STOWDFBYWKVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-12-6-3-4-9-15(12)16-11-17(24)22-19(21-16)23-28(26,27)14-8-5-7-13(10-14)18(25)20-2/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide?
N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(2-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 170411201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).