N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide

C17H18FNO2S — CID 110784568

IUPACN-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESCCSc1ccc(CNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO2S/c1-2-22-16-8-6-13(7-9-16)11-19-17(20)12-21-15-5-3-4-14(18)10-15/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyWWBUOXASFVRPHP-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.63
Rot. Bonds7

About N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide

N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 110784568) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
PubChem CID110784568
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESCCSc1ccc(CNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO2S/c1-2-22-16-8-6-13(7-9-16)11-19-17(20)12-21-15-5-3-4-14(18)10-15/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyWWBUOXASFVRPHP-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
2-(3-fluorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730575
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785663
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-ethyl-2-[3-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111876927
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
CID 9050172

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide (CID 110784568) is N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide is CCSc1ccc(CNC(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is WWBUOXASFVRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-2-22-16-8-6-13(7-9-16)11-19-17(20)12-21-15-5-3-4-14(18)10-15/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 110784568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).