N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide

C14H21FN2O4S — CID 113149266

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
SMILESCOCCN(CC(=O)NCCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-21-10-9-17(22(2,19)20)11-14(18)16-8-7-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyPVWGDZOTGRNWBS-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.39
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide (PubChem CID 113149266) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
PubChem CID113149266
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
SMILESCOCCN(CC(=O)NCCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-21-10-9-17(22(2,19)20)11-14(18)16-8-7-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyPVWGDZOTGRNWBS-UHFFFAOYSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide (CID 113149266) is N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide is COCCN(CC(=O)NCCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide?
The InChIKey is PVWGDZOTGRNWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-21-10-9-17(22(2,19)20)11-14(18)16-8-7-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide has a molecular weight of 332.40 g/mol, XLogP of 0.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).