2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide

C21H25FN4O4S — CID 31151873

IUPAC2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25FN4O4S/c1-16(24-31(29,30)19-10-6-5-9-18(19)22)21(28)26-13-11-25(12-14-26)15-20(27)23-17-7-3-2-4-8-17/h2-10,16,24H,11-15H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyILFNPOCRPJXRRM-INIZCTEOSA-N
MW448.52 g/mol
LogP1.28
Rot. Bonds7

About 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31151873) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31151873
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC Name2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25FN4O4S/c1-16(24-31(29,30)19-10-6-5-9-18(19)22)21(28)26-13-11-25(12-14-26)15-20(27)23-17-7-3-2-4-8-17/h2-10,16,24H,11-15H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyILFNPOCRPJXRRM-INIZCTEOSA-N
XLogP1.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55942363
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 31444972
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
CID 119840848
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
N-[(2S)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55937183
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
2-fluoro-N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119539702
N-[(2S)-1-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55942127

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide (CID 31151873) is 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ILFNPOCRPJXRRM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c1-16(24-31(29,30)19-10-6-5-9-18(19)22)21(28)26-13-11-25(12-14-26)15-20(27)23-17-7-3-2-4-8-17/h2-10,16,24H,11-15H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 448.52 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31151873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).