(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one

C15H15FO3S — CID 2147379

IUPAC(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
SMILESO=C(C[C@H](SCCO)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H15FO3S/c16-12-5-3-11(4-6-12)15(20-9-7-17)10-13(18)14-2-1-8-19-14/h1-6,8,15,17H,7,9-10H2/t15-/m0/s1
InChIKeyRPRSHSPHMNNJAC-HNNXBMFYSA-N
MW294.35 g/mol
LogP3.46
Rot. Bonds7

About (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one

(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one (PubChem CID 2147379) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
PubChem CID2147379
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
SMILESO=C(C[C@H](SCCO)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H15FO3S/c16-12-5-3-11(4-6-12)15(20-9-7-17)10-13(18)14-2-1-8-19-14/h1-6,8,15,17H,7,9-10H2/t15-/m0/s1
InChIKeyRPRSHSPHMNNJAC-HNNXBMFYSA-N
XLogP3.46
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one 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-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylacetic acid
CID 71680534
(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
CID 2354028
(3R)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one
CID 1036551
(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-pyridin-4-ylpropan-1-one
CID 2318138
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
2-acetamido-3-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylpropanoic acid
CID 4055211
3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 3423254
2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64643102
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
4-[3-(furan-2-yl)-1-hydroxy-3-oxopropyl]benzonitrile
CID 22297935
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]furan-2-carboxamide
CID 16928028
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
The IUPAC name of (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one (CID 2147379) is (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one is O=C(C[C@H](SCCO)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
The InChIKey is RPRSHSPHMNNJAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FO3S/c16-12-5-3-11(4-6-12)15(20-9-7-17)10-13(18)14-2-1-8-19-14/h1-6,8,15,17H,7,9-10H2/t15-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one is sourced from PubChem (CID 2147379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).