N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide

C14H21FN2O5S — CID 110606513

IUPACN-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide
SMILESCOCCOCCS(=O)(=O)NC(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H21FN2O5S/c1-11(14(18)16-13-6-4-3-5-12(13)15)17-23(19,20)10-9-22-8-7-21-2/h3-6,11,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyUFQYPIFZFHUQOO-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.74
Rot. Bonds10

About N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide

N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide (PubChem CID 110606513) has the molecular formula C14H21FN2O5S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide
PubChem CID110606513
Molecular FormulaC14H21FN2O5S
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC NameN-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide
SMILESCOCCOCCS(=O)(=O)NC(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H21FN2O5S/c1-11(14(18)16-13-6-4-3-5-12(13)15)17-23(19,20)10-9-22-8-7-21-2/h3-6,11,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyUFQYPIFZFHUQOO-UHFFFAOYSA-N
XLogP0.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methylsulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601240
N-(2-fluorophenyl)-2-(methylsulfamoylamino)propanamide
CID 110606507
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110409686
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
N-naphthalen-1-yl-2-(propylsulfonylamino)propanamide
CID 67204882
N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
2-[(4-acetylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408013
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601229
(2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 984226
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide (CID 110606513) is N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide is COCCOCCS(=O)(=O)NC(C)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide?
The InChIKey is UFQYPIFZFHUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O5S/c1-11(14(18)16-13-6-4-3-5-12(13)15)17-23(19,20)10-9-22-8-7-21-2/h3-6,11,17H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide?
N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide has a molecular weight of 348.40 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide is sourced from PubChem (CID 110606513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).