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

C22H24N4O6S — CID 2142907

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)nc(OC)n1
InChIInChI=1S/C22H24N4O6S/c1-14-5-10-18(15(2)11-14)32-13-20(27)23-16-6-8-17(9-7-16)33(28,29)26-19-12-21(30-3)25-22(24-19)31-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyXOPFAWGROPDLIV-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.93
Rot. Bonds9

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

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 2142907) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID2142907
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)nc(OC)n1
InChIInChI=1S/C22H24N4O6S/c1-14-5-10-18(15(2)11-14)32-13-20(27)23-16-6-8-17(9-7-16)33(28,29)26-19-12-21(30-3)25-22(24-19)31-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyXOPFAWGROPDLIV-UHFFFAOYSA-N
XLogP2.93
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
2-(2-chlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1014082
2-(3,5-dimethylphenoxy)-N-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide
CID 1078193
2-(2,4-Dimethyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078201
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
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2,3,5-trimethylphenoxy)acetamide
CID 1192510
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide (CID 2142907) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is XOPFAWGROPDLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14-5-10-18(15(2)11-14)32-13-20(27)23-16-6-8-17(9-7-16)33(28,29)26-19-12-21(30-3)25-22(24-19)31-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 472.52 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 2142907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).