2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

C17H19FN2O3S — CID 2888964

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-13(14-8-4-3-5-9-14)19-17(21)12-20(24(2,22)23)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3,(H,19,21)
InChIKeyZYGYZOSSEASHLC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.47
Rot. Bonds6

About 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 2888964) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID2888964
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-13(14-8-4-3-5-9-14)19-17(21)12-20(24(2,22)23)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3,(H,19,21)
InChIKeyZYGYZOSSEASHLC-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
N-(Trifluoroacetyl)-L-Phenylalanyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 5497044
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
2-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 2888964) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is ZYGYZOSSEASHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13(14-8-4-3-5-9-14)19-17(21)12-20(24(2,22)23)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2888964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).