2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C21H22N4O6S — CID 92681019

IUPAC2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C21H22N4O6S/c1-14-8-9-22-21(23-14)25-32(27,28)19-6-4-15(5-7-19)24-20(26)13-31-18-11-16(29-2)10-17(12-18)30-3/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyRBPQOWAOMDOWQI-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.62
Rot. Bonds9

About 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 92681019) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID92681019
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC Name2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C21H22N4O6S/c1-14-8-9-22-21(23-14)25-32(27,28)19-6-4-15(5-7-19)24-20(26)13-31-18-11-16(29-2)10-17(12-18)30-3/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyRBPQOWAOMDOWQI-UHFFFAOYSA-N
XLogP2.62
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 17191722
2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30390308
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 46770048
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 92681019) is 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is COc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is RBPQOWAOMDOWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-14-8-9-22-21(23-14)25-32(27,28)19-6-4-15(5-7-19)24-20(26)13-31-18-11-16(29-2)10-17(12-18)30-3/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 92681019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).