N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide

C19H22N2O4S — CID 119340504

IUPACN-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-26(23,24)18-8-4-3-7-17(18)25-15-11-9-14(10-12-15)21-19(22)16-6-5-13-20-16/h3-4,7-12,16,20H,2,5-6,13H2,1H3,(H,21,22)
InChIKeyUWCZSGOWSIQDMQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.96
Rot. Bonds6

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

N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119340504) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID119340504
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-26(23,24)18-8-4-3-7-17(18)25-15-11-9-14(10-12-15)21-19(22)16-6-5-13-20-16/h3-4,7-12,16,20H,2,5-6,13H2,1H3,(H,21,22)
InChIKeyUWCZSGOWSIQDMQ-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(3-methylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119331523
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide (CID 119340504) is N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide is CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UWCZSGOWSIQDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-26(23,24)18-8-4-3-7-17(18)25-15-11-9-14(10-12-15)21-19(22)16-6-5-13-20-16/h3-4,7-12,16,20H,2,5-6,13H2,1H3,(H,21,22).
What are the key properties of N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide?
N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119340504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).