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

C21H21ClN4O6S — CID 5218053

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)nc(OC)n1
InChIInChI=1S/C21H21ClN4O6S/c1-13-10-14(22)4-9-17(13)32-12-19(27)23-15-5-7-16(8-6-15)33(28,29)26-18-11-20(30-2)25-21(24-18)31-3/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeySRVZFEIKQJRVLU-UHFFFAOYSA-N
MW492.94 g/mol
LogP3.27
Rot. Bonds9

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

2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 5218053) has the molecular formula C21H21ClN4O6S and a molecular weight of 492.94 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID5218053
Molecular FormulaC21H21ClN4O6S
Molecular Weight492.94 g/mol
Exact Mass492.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)nc(OC)n1
InChIInChI=1S/C21H21ClN4O6S/c1-13-10-14(22)4-9-17(13)32-12-19(27)23-15-5-7-16(8-6-15)33(28,29)26-18-11-20(30-2)25-21(24-18)31-3/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeySRVZFEIKQJRVLU-UHFFFAOYSA-N
XLogP3.27
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 4513589
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4026517
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 4635813
2-(2-bromo-4-phenylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4960634
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 25044682
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 2206595
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
2,4-dichloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 3520706
3-(4-chloropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 19542060
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19274420
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide (CID 5218053) is 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)nc(OC)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is SRVZFEIKQJRVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O6S/c1-13-10-14(22)4-9-17(13)32-12-19(27)23-15-5-7-16(8-6-15)33(28,29)26-18-11-20(30-2)25-21(24-18)31-3/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 492.94 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5218053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).