3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide

C15H16FNOS2 — CID 47098774

IUPAC3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)CCSc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H16FNOS2/c1-11(14-3-2-9-20-14)17-15(18)8-10-19-13-6-4-12(16)5-7-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)
InChIKeyNAKZUFZXPQPPGT-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.25
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 47098774) has the molecular formula C15H16FNOS2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID47098774
Molecular FormulaC15H16FNOS2
Molecular Weight309.43 g/mol
Exact Mass309.07
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)CCSc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H16FNOS2/c1-11(14-3-2-9-20-14)17-15(18)8-10-19-13-6-4-12(16)5-7-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)
InChIKeyNAKZUFZXPQPPGT-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide 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-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855886
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 9367760
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate
CID 55514197
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide (CID 47098774) is 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide is CC(NC(=O)CCSc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is NAKZUFZXPQPPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS2/c1-11(14-3-2-9-20-14)17-15(18)8-10-19-13-6-4-12(16)5-7-13/h2-7,9,11H,8,10H2,1H3,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 309.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 47098774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).