2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate

C20H26N4O5S — CID 55998172

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(OCCOC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H26N4O5S/c1-23(2)30(26,27)18-6-4-17(5-7-18)28-14-15-29-19(25)16-8-12-24(13-9-16)20-21-10-3-11-22-20/h3-7,10-11,16H,8-9,12-15H2,1-2H3
InChIKeyYJNBAHOHJHLWIL-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.57
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate (PubChem CID 55998172) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
PubChem CID55998172
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(OCCOC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C20H26N4O5S/c1-23(2)30(26,27)18-6-4-17(5-7-18)28-14-15-29-19(25)16-8-12-24(13-9-16)20-21-10-3-11-22-20/h3-7,10-11,16H,8-9,12-15H2,1-2H3
InChIKeyYJNBAHOHJHLWIL-UHFFFAOYSA-N
XLogP1.57
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 31803031
1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906798
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
2-(4-methylphenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602851
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
2-(4-cyanophenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41151127
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 24685401
2-(4-cyanophenoxy)ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 30066412
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate (CID 55998172) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate is CN(C)S(=O)(=O)c1ccc(OCCOC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The InChIKey is YJNBAHOHJHLWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-23(2)30(26,27)18-6-4-17(5-7-18)28-14-15-29-19(25)16-8-12-24(13-9-16)20-21-10-3-11-22-20/h3-7,10-11,16H,8-9,12-15H2,1-2H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 55998172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).