2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide

C16H16FNO2S — CID 102876786

IUPAC2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
SMILESCOc1ccc(COc2ccc(CC(N)=S)cc2)c(F)c1
InChIInChI=1S/C16H16FNO2S/c1-19-14-7-4-12(15(17)9-14)10-20-13-5-2-11(3-6-13)8-16(18)21/h2-7,9H,8,10H2,1H3,(H2,18,21)
InChIKeyHBEJLXOELOBDHR-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide

2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide (PubChem CID 102876786) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
PubChem CID102876786
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
SMILESCOc1ccc(COc2ccc(CC(N)=S)cc2)c(F)c1
InChIInChI=1S/C16H16FNO2S/c1-19-14-7-4-12(15(17)9-14)10-20-13-5-2-11(3-6-13)8-16(18)21/h2-7,9H,8,10H2,1H3,(H2,18,21)
InChIKeyHBEJLXOELOBDHR-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
[3-fluoro-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877142
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
3-fluoro-4-[(4-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 28520209
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide (CID 102876786) is 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide is COc1ccc(COc2ccc(CC(N)=S)cc2)c(F)c1.
What is the InChIKey of 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide?
The InChIKey is HBEJLXOELOBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-19-14-7-4-12(15(17)9-14)10-20-13-5-2-11(3-6-13)8-16(18)21/h2-7,9H,8,10H2,1H3,(H2,18,21).
What are the key properties of 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide?
2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide has a molecular weight of 305.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide is sourced from PubChem (CID 102876786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).