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

C20H19ClN4O4S — CID 2250717

IUPAC2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nc(C)n1
InChIInChI=1S/C20H19ClN4O4S/c1-13-11-19(23-14(2)22-13)25-30(27,28)18-9-5-16(6-10-18)24-20(26)12-29-17-7-3-15(21)4-8-17/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyMIKSJIOZXAZMFS-UHFFFAOYSA-N
MW446.92 g/mol
LogP3.57
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2250717) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID2250717
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nc(C)n1
InChIInChI=1S/C20H19ClN4O4S/c1-13-11-19(23-14(2)22-13)25-30(27,28)18-9-5-16(6-10-18)24-20(26)12-29-17-7-3-15(21)4-8-17/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyMIKSJIOZXAZMFS-UHFFFAOYSA-N
XLogP3.57
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(2-chlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1014082
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
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 2250717) is 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nc(C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MIKSJIOZXAZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-13-11-19(23-14(2)22-13)25-30(27,28)18-9-5-16(6-10-18)24-20(26)12-29-17-7-3-15(21)4-8-17/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 446.92 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2250717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).