5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one

C16H17NO4S — CID 3086696

IUPAC5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO4S/c1-2-21-16-10-9-15(18)17(16)22(19,20)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3
InChIKeyHDRBAFGMSGSRPZ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.51
Rot. Bonds4

About 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one

5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one (PubChem CID 3086696) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one
PubChem CID3086696
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO4S/c1-2-21-16-10-9-15(18)17(16)22(19,20)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3
InChIKeyHDRBAFGMSGSRPZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one 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

5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one
CID 54229338
(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one
CID 57396652
5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 135051669
ethyl naphthalene-2-sulfonate;iron
CID 87451141
(3aS,6R,6aR)-1-methylsulfonyl-4-naphthalen-2-ylsulfonyl-6-propyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 18395928
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
CID 70948532
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020
ethyl 7-naphthalen-2-ylsulfonyl-7-azabicyclo[4.2.1]nonane-8-carboxylate
CID 67155156
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one (CID 3086696) is 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one?
The InChIKey is HDRBAFGMSGSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-21-16-10-9-15(18)17(16)22(19,20)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one?
5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one has a molecular weight of 319.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one is sourced from PubChem (CID 3086696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).