N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide

C18H18FNO4S — CID 23409064

IUPACN-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)CC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4S/c1-2-13-3-9-16(10-4-13)20-18(22)12-25(23,24)11-17(21)14-5-7-15(19)8-6-14/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyQEAOESZSFKORTM-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.62
Rot. Bonds7

About N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide

N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide (PubChem CID 23409064) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
PubChem CID23409064
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC NameN-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)CC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4S/c1-2-13-3-9-16(10-4-13)20-18(22)12-25(23,24)11-17(21)14-5-7-15(19)8-6-14/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyQEAOESZSFKORTM-UHFFFAOYSA-N
XLogP2.62
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
1-(4-ethylphenyl)-2-propylsulfonylethanone
CID 64641647
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925892

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide (CID 23409064) is N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide is CCc1ccc(NC(=O)CS(=O)(=O)CC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
The InChIKey is QEAOESZSFKORTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-2-13-3-9-16(10-4-13)20-18(22)12-25(23,24)11-17(21)14-5-7-15(19)8-6-14/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide has a molecular weight of 363.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 23409064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).