N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide

C18H20N2O4S — CID 119331523

IUPACN-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CCCN3)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)16-5-2-4-15(12-16)24-14-9-7-13(8-10-14)20-18(21)17-6-3-11-19-17/h2,4-5,7-10,12,17,19H,3,6,11H2,1H3,(H,20,21)
InChIKeyRJGDRABCHCWIJE-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide

N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119331523) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID119331523
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CCCN3)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-25(22,23)16-5-2-4-15(12-16)24-14-9-7-13(8-10-14)20-18(21)17-6-3-11-19-17/h2,4-5,7-10,12,17,19H,3,6,11H2,1H3,(H,20,21)
InChIKeyRJGDRABCHCWIJE-UHFFFAOYSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119331518
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120934345
N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119340504
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide (CID 119331523) is N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide is CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C3CCCN3)cc2)c1.
What is the InChIKey of N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RJGDRABCHCWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25(22,23)16-5-2-4-15(12-16)24-14-9-7-13(8-10-14)20-18(21)17-6-3-11-19-17/h2,4-5,7-10,12,17,19H,3,6,11H2,1H3,(H,20,21).
What are the key properties of N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119331523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).