2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide

C16H20N4O3S — CID 122263675

IUPAC2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)ncn1
InChIInChI=1S/C16H20N4O3S/c1-11(2)16(21)20-13-4-6-15(7-5-13)24(22,23)19-9-14-8-12(3)17-10-18-14/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)
InChIKeyJITMDSFORRCOFL-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.86
Rot. Bonds6

About 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide

2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide (PubChem CID 122263675) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
PubChem CID122263675
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)ncn1
InChIInChI=1S/C16H20N4O3S/c1-11(2)16(21)20-13-4-6-15(7-5-13)24(22,23)19-9-14-8-12(3)17-10-18-14/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)
InChIKeyJITMDSFORRCOFL-UHFFFAOYSA-N
XLogP1.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263618
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304710
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
tert-butyl 2-[[4-(2-methylpropanoylamino)phenyl]sulfonylamino]acetate
CID 22456229
N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 90523543
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[4-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 71795193
N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55707974
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide (CID 122263675) is 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide is Cc1cc(CNS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)ncn1.
What is the InChIKey of 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide?
The InChIKey is JITMDSFORRCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(2)16(21)20-13-4-6-15(7-5-13)24(22,23)19-9-14-8-12(3)17-10-18-14/h4-8,10-11,19H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide?
2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 122263675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).