(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone

C18H21NO4S — CID 90584648

IUPAC(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C18H21NO4S/c1-3-23-16-9-8-13-6-4-5-7-15(13)17(16)18(20)19-11-10-14(12-19)24(2,21)22/h4-9,14H,3,10-12H2,1-2H3
InChIKeyCPOMFARJLQOJOS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.50
Rot. Bonds4

About (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone

(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 90584648) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID90584648
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C18H21NO4S/c1-3-23-16-9-8-13-6-4-5-7-15(13)17(16)18(20)19-11-10-14(12-19)24(2,21)22/h4-9,14H,3,10-12H2,1-2H3
InChIKeyCPOMFARJLQOJOS-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636127
(2,6-dimethoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584599
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 90639571
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539882
[(3aS)-2-quinoxalin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122691775
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329170

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 90584648) is (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCC(S(C)(=O)=O)C1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is CPOMFARJLQOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-23-16-9-8-13-6-4-5-7-15(13)17(16)18(20)19-11-10-14(12-19)24(2,21)22/h4-9,14H,3,10-12H2,1-2H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 347.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 90584648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).