2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C20H20N4O3S — CID 3463935

IUPAC2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N4O3S/c1-14-3-5-16(6-4-14)13-19(25)23-17-7-9-18(10-8-17)28(26,27)24-20-21-12-11-15(2)22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyMLUQGSFYMIYZBJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 3463935) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID3463935
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N4O3S/c1-14-3-5-16(6-4-14)13-19(25)23-17-7-9-18(10-8-17)28(26,27)24-20-21-12-11-15(2)22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyMLUQGSFYMIYZBJ-UHFFFAOYSA-N
XLogP3.08
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 3463935) is 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MLUQGSFYMIYZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-3-5-16(6-4-14)13-19(25)23-17-7-9-18(10-8-17)28(26,27)24-20-21-12-11-15(2)22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3463935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).