2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide

C14H18FNO2S — CID 97414577

IUPAC2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
SMILESCO[C@]1(CNC(=O)Cc2ccc(F)cc2)CCSC1
InChIInChI=1S/C14H18FNO2S/c1-18-14(6-7-19-10-14)9-16-13(17)8-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyUIGTWYYIECINHU-AWEZNQCLSA-N
MW283.37 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide (PubChem CID 97414577) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
PubChem CID97414577
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
SMILESCO[C@]1(CNC(=O)Cc2ccc(F)cc2)CCSC1
InChIInChI=1S/C14H18FNO2S/c1-18-14(6-7-19-10-14)9-16-13(17)8-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyUIGTWYYIECINHU-AWEZNQCLSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide 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

1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
2-(4-fluorophenyl)-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]acetamide
CID 146074781
3-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 97414688
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584533
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584319

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide (CID 97414577) is 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide is CO[C@]1(CNC(=O)Cc2ccc(F)cc2)CCSC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
The InChIKey is UIGTWYYIECINHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-18-14(6-7-19-10-14)9-16-13(17)8-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97414577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).