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

C14H18FNO2S — CID 71804827

IUPAC2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOC1(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)
InChIKeyUIGTWYYIECINHU-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.01
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (PubChem CID 71804827) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
PubChem CID71804827
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOC1(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)
InChIKeyUIGTWYYIECINHU-UHFFFAOYSA-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

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Related Compounds

2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 2163005
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
2-(4-fluorophenyl)-N-(2-oxothiolan-3-yl)acetamide
CID 2916268
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
CID 3079239
2-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 2915718
N-[(3S)-2-oxothiolan-3-yl]-2-phenylacetamide
CID 56659166
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (R)-
CID 3079238
N-(2-oxothiolan-3-yl)-2-phenylacetamide
CID 3296341
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide
CID 16799579
2-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787178
1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-(methylthio)butyl)cyclopropanecarboxamide
CID 71787332
3,4-difluoro-N-((3-methoxytetrahydrothiophen-3-yl)methyl)benzamide
CID 71804832

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (CID 71804827) is 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide is COC1(CNC(=O)Cc2ccc(F)cc2)CCSC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The InChIKey is UIGTWYYIECINHU-UHFFFAOYSA-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).
What are the key properties of 2-(4-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(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-[(3-methoxythiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 71804827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).