2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide

C12H12FNO2S — CID 798537

IUPAC2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCSC1=O
InChIInChI=1S/C12H12FNO2S/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m1/s1
InChIKeyFVBFSDFMOWPXTK-SNVBAGLBSA-N
MW253.30 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide

2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide (PubChem CID 798537) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide
PubChem CID798537
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCSC1=O
InChIInChI=1S/C12H12FNO2S/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m1/s1
InChIKeyFVBFSDFMOWPXTK-SNVBAGLBSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
3-[(4-fluorophenyl)sulfonylamino]-N-(2-oxothiolan-3-yl)propanamide
CID 17192160
4-fluoro-N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]benzamide
CID 886336
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
CID 7438539
2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanyl-N-(2-oxothiolan-3-yl)acetamide
CID 71316399
4-(4-fluorophenyl)-N-(2-oxothiolan-3-yl)piperazine-1-carboxamide
CID 110184731
1,3-bis(2-oxothiolan-3-yl)urea
CID 110189672
3-methyl-N-(2-oxothiolan-3-yl)but-3-enamide
CID 144639488
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxothiolan-3-yl)acetamide
CID 2904820
2-(4-hydroxyphenyl)sulfanyl-N-(2-oxothiolan-3-yl)acetamide
CID 71873084
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide (CID 798537) is 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H]1CCSC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide?
The InChIKey is FVBFSDFMOWPXTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12FNO2S/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide?
2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3R)-2-oxothiolan-3-yl]acetamide is sourced from PubChem (CID 798537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).