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

C20H19ClN4O6S — CID 1014082

IUPAC2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(OC)n1
InChIInChI=1S/C20H19ClN4O6S/c1-29-19-11-17(23-20(24-19)30-2)25-32(27,28)14-9-7-13(8-10-14)22-18(26)12-31-16-6-4-3-5-15(16)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeySODLZNNUANPOJE-UHFFFAOYSA-N
MW478.91 g/mol
LogP2.97
Rot. Bonds9

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

2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1014082) has the molecular formula C20H19ClN4O6S and a molecular weight of 478.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID1014082
Molecular FormulaC20H19ClN4O6S
Molecular Weight478.91 g/mol
Exact Mass478.07
IUPAC Name2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(OC)n1
InChIInChI=1S/C20H19ClN4O6S/c1-29-19-11-17(23-20(24-19)30-2)25-32(27,28)14-9-7-13(8-10-14)22-18(26)12-31-16-6-4-3-5-15(16)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeySODLZNNUANPOJE-UHFFFAOYSA-N
XLogP2.97
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenylcarbamothioyl)acetamide
CID 1791111
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-ethoxyphenoxy)acetamide
CID 1193009
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 2142907
N-{[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-2-(2-methoxyphenoxy)acetamide
CID 2947400
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 2998330
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 4205576
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 2789353
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(2-methoxyphenoxy)acetamide
CID 660126

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 1014082) is 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(OC)n1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is SODLZNNUANPOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O6S/c1-29-19-11-17(23-20(24-19)30-2)25-32(27,28)14-9-7-13(8-10-14)22-18(26)12-31-16-6-4-3-5-15(16)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 478.91 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1014082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).