N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide

C18H20FNO3S — CID 110790718

IUPACN-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-2-24(22,23)16-9-7-14(8-10-16)11-12-20-18(21)13-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyKQUVVIVSFYAFMY-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide

N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 110790718) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID110790718
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-2-24(22,23)16-9-7-14(8-10-16)11-12-20-18(21)13-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyKQUVVIVSFYAFMY-UHFFFAOYSA-N
XLogP2.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 110790716
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide (CID 110790718) is N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide is CCS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is KQUVVIVSFYAFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-2-24(22,23)16-9-7-14(8-10-16)11-12-20-18(21)13-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110790718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).