[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone

C20H23NO4S — CID 110395047

IUPAC[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4S/c1-3-25-17-10-12-18(13-11-17)26(23,24)21-14-4-5-19(21)20(22)16-8-6-15(2)7-9-16/h6-13,19H,3-5,14H2,1-2H3
InChIKeyFRYHBQSRPBOMRR-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.43
Rot. Bonds6

About [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone

[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone (PubChem CID 110395047) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
PubChem CID110395047
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4S/c1-3-25-17-10-12-18(13-11-17)26(23,24)21-14-4-5-19(21)20(22)16-8-6-15(2)7-9-16/h6-13,19H,3-5,14H2,1-2H3
InChIKeyFRYHBQSRPBOMRR-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18884790
(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110395032
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
CID 51571149
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone (CID 110395047) is [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone is CCOc1ccc(S(=O)(=O)N2CCCC2C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is FRYHBQSRPBOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-3-25-17-10-12-18(13-11-17)26(23,24)21-14-4-5-19(21)20(22)16-8-6-15(2)7-9-16/h6-13,19H,3-5,14H2,1-2H3.
What are the key properties of [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 373.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110395047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).