2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide

C24H25FN2O4S — CID 43888656

IUPAC2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H25FN2O4S/c1-18(19-8-4-3-5-9-19)26-24(28)17-31-22-14-12-21(13-15-22)27(32(2,29)30)16-20-10-6-7-11-23(20)25/h3-15,18H,16-17H2,1-2H3,(H,26,28)
InChIKeyOTNOHRAGPQWNQW-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.05
Rot. Bonds9

About 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide

2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide (PubChem CID 43888656) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
PubChem CID43888656
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H25FN2O4S/c1-18(19-8-4-3-5-9-19)26-24(28)17-31-22-14-12-21(13-15-22)27(32(2,29)30)16-20-10-6-7-11-23(20)25/h3-15,18H,16-17H2,1-2H3,(H,26,28)
InChIKeyOTNOHRAGPQWNQW-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131464
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 30131416
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30463949
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 30131468
N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131058
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43888473
N-butyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131067
N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131515
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30131113
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30130551
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130619

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide (CID 43888656) is 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide?
The InChIKey is OTNOHRAGPQWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-18(19-8-4-3-5-9-19)26-24(28)17-31-22-14-12-21(13-15-22)27(32(2,29)30)16-20-10-6-7-11-23(20)25/h3-15,18H,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide?
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide has a molecular weight of 456.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43888656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).