N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide

C17H18FNO3S — CID 7731180

IUPACN-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO3S/c1-2-13-5-9-16(10-6-13)19-17(20)12-23(21,22)11-14-3-7-15(18)8-4-14/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyGCLMIIYHPQTSRB-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.94
Rot. Bonds6

About N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide

N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide (PubChem CID 7731180) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
PubChem CID7731180
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO3S/c1-2-13-5-9-16(10-6-13)19-17(20)12-23(21,22)11-14-3-7-15(18)8-4-14/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyGCLMIIYHPQTSRB-UHFFFAOYSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925892
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide
CID 39083783
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide (CID 7731180) is N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide is CCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
The InChIKey is GCLMIIYHPQTSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-2-13-5-9-16(10-6-13)19-17(20)12-23(21,22)11-14-3-7-15(18)8-4-14/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 7731180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).