2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide

C14H18FNOS — CID 75402794

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)SC(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNOS/c1-4-9-16-14(17)11(3)18-10(2)12-5-7-13(15)8-6-12/h4-8,10-11H,1,9H2,2-3H3,(H,16,17)
InChIKeyRIJLVOAOUNLBCS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds6

About 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide

2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide (PubChem CID 75402794) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide
PubChem CID75402794
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)SC(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNOS/c1-4-9-16-14(17)11(3)18-10(2)12-5-7-13(15)8-6-12/h4-8,10-11H,1,9H2,2-3H3,(H,16,17)
InChIKeyRIJLVOAOUNLBCS-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide 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-fluorophenyl)-2-hydroxy-N-prop-2-enylacetamide
CID 82126666
(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
CID 94217660
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 8008521
(2S)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 8851994
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
(2R)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 136905107
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134021342
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methyl-N-prop-2-enylbutanamide
CID 20811204
2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
CID 107528240

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide (CID 75402794) is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)SC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide?
The InChIKey is RIJLVOAOUNLBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-4-9-16-14(17)11(3)18-10(2)12-5-7-13(15)8-6-12/h4-8,10-11H,1,9H2,2-3H3,(H,16,17).
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide?
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 75402794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).