2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

C24H25ClN4O5S — CID 136818366

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)c2)n1
InChIInChI=1S/C24H25ClN4O5S/c1-16-12-22(30)28-24(26-16)17-6-5-7-18(13-17)27-23(31)15-34-21-9-8-19(14-20(21)25)35(32,33)29-10-3-2-4-11-29/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyZLZPGERYNZZUMQ-UHFFFAOYSA-N
MW517.01 g/mol
LogP3.59
Rot. Bonds7

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (PubChem CID 136818366) has the molecular formula C24H25ClN4O5S and a molecular weight of 517.01 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
PubChem CID136818366
Molecular FormulaC24H25ClN4O5S
Molecular Weight517.01 g/mol
Exact Mass516.12
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)c2)n1
InChIInChI=1S/C24H25ClN4O5S/c1-16-12-22(30)28-24(26-16)17-6-5-7-18(13-17)27-23(31)15-34-21-9-8-19(14-20(21)25)35(32,33)29-10-3-2-4-11-29/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyZLZPGERYNZZUMQ-UHFFFAOYSA-N
XLogP3.59
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.01
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 136818212
2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818213
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136876910
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-3-carboxamide
CID 137168988
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
1-(4-bromophenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-4-carboxamide
CID 136876982
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818306
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (CID 136818366) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)c2)n1.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The InChIKey is ZLZPGERYNZZUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5S/c1-16-12-22(30)28-24(26-16)17-6-5-7-18(13-17)27-23(31)15-34-21-9-8-19(14-20(21)25)35(32,33)29-10-3-2-4-11-29/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 517.01 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 136818366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).