N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide

C16H20N4O3S — CID 728482

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C16H20N4O3S/c1-10(2)15(21)19-13-5-7-14(8-6-13)24(22,23)20-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyOZKMBUGAHKUFIX-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.49
Rot. Bonds5

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 728482) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID728482
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C16H20N4O3S/c1-10(2)15(21)19-13-5-7-14(8-6-13)24(22,23)20-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyOZKMBUGAHKUFIX-UHFFFAOYSA-N
XLogP2.49
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide (CID 728482) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is OZKMBUGAHKUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(2)15(21)19-13-5-7-14(8-6-13)24(22,23)20-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,19,21)(H,17,18,20).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 728482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).