4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C19H20N4O4S — CID 135500374

IUPAC4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H20N4O4S/c1-22(2)28(26,27)14-10-8-13(9-11-14)19(25)23(3)12-17-20-16-7-5-4-6-15(16)18(24)21-17/h4-11H,12H2,1-3H3,(H,20,21,24)
InChIKeyQHOUKBDJIUXEOC-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.45
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135500374) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135500374
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H20N4O4S/c1-22(2)28(26,27)14-10-8-13(9-11-14)19(25)23(3)12-17-20-16-7-5-4-6-15(16)18(24)21-17/h4-11H,12H2,1-3H3,(H,20,21,24)
InChIKeyQHOUKBDJIUXEOC-UHFFFAOYSA-N
XLogP1.45
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135500374) is 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is QHOUKBDJIUXEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-22(2)28(26,27)14-10-8-13(9-11-14)19(25)23(3)12-17-20-16-7-5-4-6-15(16)18(24)21-17/h4-11H,12H2,1-3H3,(H,20,21,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135500374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).