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

C18H21FN2O4S — CID 30131058

IUPACN-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-20-18(22)13-25-16-10-8-15(9-11-16)21(26(2,23)24)12-14-6-4-5-7-17(14)19/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyXBIPLHMKINXCFD-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.31
Rot. Bonds8

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

N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30131058) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30131058
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-20-18(22)13-25-16-10-8-15(9-11-16)21(26(2,23)24)12-14-6-4-5-7-17(14)19/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyXBIPLHMKINXCFD-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131067
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30131113
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 30131416
N-benzhydryl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131464
N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131515
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
CID 43888656
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 30131468
N,N-dibenzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888664
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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30131498
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30130659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30131058) is N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is CCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is XBIPLHMKINXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-20-18(22)13-25-16-10-8-15(9-11-16)21(26(2,23)24)12-14-6-4-5-7-17(14)19/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30131058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).