2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide

C17H19FN2O3S — CID 112992360

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2O3S/c1-12-10-15(8-9-16(12)18)24(22,23)19-11-17(21)20-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21)
InChIKeyVKUFVJBPEXDCNG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.29
Rot. Bonds6

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide (PubChem CID 112992360) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
PubChem CID112992360
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2O3S/c1-12-10-15(8-9-16(12)18)24(22,23)19-11-17(21)20-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21)
InChIKeyVKUFVJBPEXDCNG-UHFFFAOYSA-N
XLogP2.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112993355
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239
N-(3,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001384
4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide
CID 112982261
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 91842029
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610
N-(2,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001324
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499700

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide (CID 112992360) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide is Cc1cc(S(=O)(=O)NCC(=O)NC(C)c2ccccc2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is VKUFVJBPEXDCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-10-15(8-9-16(12)18)24(22,23)19-11-17(21)20-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 112992360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).