2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone

C23H28N2O4S — CID 138992541

IUPAC2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
SMILESO=C(C(Oc1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28N2O4S/c26-23(22(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20)24-17-13-21(14-18-24)30(27,28)25-15-7-8-16-25/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyUYTDHYOMSXXOEE-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.22
Rot. Bonds6

About 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone

2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone (PubChem CID 138992541) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
PubChem CID138992541
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
SMILESO=C(C(Oc1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28N2O4S/c26-23(22(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20)24-17-13-21(14-18-24)30(27,28)25-15-7-8-16-25/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyUYTDHYOMSXXOEE-UHFFFAOYSA-N
XLogP3.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidine-3-carboxamide
CID 95580293
N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95300634
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 71901975
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 119578300
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
CID 55763984
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-bromophenoxy)-2-phenylethanone;hydrochloride
CID 119412168
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone?
The IUPAC name of 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone (CID 138992541) is 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone is O=C(C(Oc1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone?
The InChIKey is UYTDHYOMSXXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c26-23(22(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20)24-17-13-21(14-18-24)30(27,28)25-15-7-8-16-25/h1-6,9-12,21-22H,7-8,13-18H2.
What are the key properties of 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone?
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone has a molecular weight of 428.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone is sourced from PubChem (CID 138992541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).