N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide

C16H16FNO2S — CID 9137754

IUPACN-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCSc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-12(19)18-15-4-2-3-5-16(15)20-10-11-21-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyGAOQPUYRBWNENH-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.96
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide

N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide (PubChem CID 9137754) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
PubChem CID9137754
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCSc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-12(19)18-15-4-2-3-5-16(15)20-10-11-21-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyGAOQPUYRBWNENH-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
CID 8819472
N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 7506189
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide (CID 9137754) is N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCCSc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide?
The InChIKey is GAOQPUYRBWNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12(19)18-15-4-2-3-5-16(15)20-10-11-21-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide?
N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide has a molecular weight of 305.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide is sourced from PubChem (CID 9137754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).