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

C20H20N4O4S — CID 1150931

IUPAC2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-14-11-12-21-20(22-14)24-29(26,27)18-9-5-16(6-10-18)23-19(25)13-15-3-7-17(28-2)8-4-15/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyGXZLZVJOOMGWOU-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.78
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1150931) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID1150931
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-14-11-12-21-20(22-14)24-29(26,27)18-9-5-16(6-10-18)23-19(25)13-15-3-7-17(28-2)8-4-15/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyGXZLZVJOOMGWOU-UHFFFAOYSA-N
XLogP2.78
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 1150931) is 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is GXZLZVJOOMGWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-14-11-12-21-20(22-14)24-29(26,27)18-9-5-16(6-10-18)23-19(25)13-15-3-7-17(28-2)8-4-15/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1150931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).