3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide

C17H24FNO2S — CID 47070997

IUPAC3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
SMILESCCSCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H24FNO2S/c1-2-22-12-7-16(20)19-13-17(8-10-21-11-9-17)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,20)
InChIKeyQEXITOGXLVHKRV-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.13
Rot. Bonds7

About 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide

3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide (PubChem CID 47070997) has the molecular formula C17H24FNO2S and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
PubChem CID47070997
Molecular FormulaC17H24FNO2S
Molecular Weight325.45 g/mol
Exact Mass325.15
IUPAC Name3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
SMILESCCSCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H24FNO2S/c1-2-22-12-7-16(20)19-13-17(8-10-21-11-9-17)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,20)
InChIKeyQEXITOGXLVHKRV-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.13
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

4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
CID 27450003
(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94614538
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide (CID 47070997) is 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide is CCSCCC(=O)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is QEXITOGXLVHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2S/c1-2-22-12-7-16(20)19-13-17(8-10-21-11-9-17)14-3-5-15(18)6-4-14/h3-6H,2,7-13H2,1H3,(H,19,20).
What are the key properties of 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide?
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 47070997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).