(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide

C17H19FN2O3S — CID 24539850

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-12(14-8-4-3-5-9-14)19-17(21)13(2)20-24(22,23)16-11-7-6-10-15(16)18/h3-13,20H,1-2H3,(H,19,21)/t12?,13-/m0/s1
InChIKeyWHZSGNPQCBEXMU-ABLWVSNPSA-N
MW350.42 g/mol
LogP2.37
Rot. Bonds6

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide (PubChem CID 24539850) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
PubChem CID24539850
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-12(14-8-4-3-5-9-14)19-17(21)13(2)20-24(22,23)16-11-7-6-10-15(16)18/h3-13,20H,1-2H3,(H,19,21)/t12?,13-/m0/s1
InChIKeyWHZSGNPQCBEXMU-ABLWVSNPSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25474515
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324470
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 18168761
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
(2S)-N-[1-(4-sulfamoylphenyl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55936658
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide (CID 24539850) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is WHZSGNPQCBEXMU-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(14-8-4-3-5-9-14)19-17(21)13(2)20-24(22,23)16-11-7-6-10-15(16)18/h3-13,20H,1-2H3,(H,19,21)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 24539850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).