2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone

C19H20FNO4S — CID 90592934

IUPAC2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FNO4S/c1-2-25-16-7-3-14(4-8-16)11-19(22)21-12-18(13-21)26(23,24)17-9-5-15(20)6-10-17/h3-10,18H,2,11-13H2,1H3
InChIKeyIFNVIOZLMKNNCK-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone (PubChem CID 90592934) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
PubChem CID90592934
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FNO4S/c1-2-25-16-7-3-14(4-8-16)11-19(22)21-12-18(13-21)26(23,24)17-9-5-15(20)6-10-17/h3-10,18H,2,11-13H2,1H3
InChIKeyIFNVIOZLMKNNCK-UHFFFAOYSA-N
XLogP2.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 90584859
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 2664078
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90592948
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110866761
(3,4-diethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 90593103
2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone
CID 91814537
1-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-propoxyphenyl)propan-1-one
CID 99882953
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
1-(3,5-dimethyl-4-phenylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 110602258

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone (CID 90592934) is 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The InChIKey is IFNVIOZLMKNNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-2-25-16-7-3-14(4-8-16)11-19(22)21-12-18(13-21)26(23,24)17-9-5-15(20)6-10-17/h3-10,18H,2,11-13H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone is sourced from PubChem (CID 90592934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).