2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide

C20H18Cl2N4O6S — CID 1010333

IUPAC2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nc(OC)n1
InChIInChI=1S/C20H18Cl2N4O6S/c1-30-19-10-17(24-20(25-19)31-2)26-33(28,29)14-6-4-13(5-7-14)23-18(27)11-32-16-8-3-12(21)9-15(16)22/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZUAQQZZAZWTBEH-UHFFFAOYSA-N
MW513.36 g/mol
LogP3.62
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1010333) has the molecular formula C20H18Cl2N4O6S and a molecular weight of 513.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID1010333
Molecular FormulaC20H18Cl2N4O6S
Molecular Weight513.36 g/mol
Exact Mass512.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nc(OC)n1
InChIInChI=1S/C20H18Cl2N4O6S/c1-30-19-10-17(24-20(25-19)31-2)26-33(28,29)14-6-4-13(5-7-14)23-18(27)11-32-16-8-3-12(21)9-15(16)22/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZUAQQZZAZWTBEH-UHFFFAOYSA-N
XLogP3.62
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 1010333) is 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nc(OC)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZUAQQZZAZWTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O6S/c1-30-19-10-17(24-20(25-19)31-2)26-33(28,29)14-6-4-13(5-7-14)23-18(27)11-32-16-8-3-12(21)9-15(16)22/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 513.36 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1010333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).