1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone

C14H18FNO2S — CID 62053535

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)C2CCSC2)cc1F
InChIInChI=1S/C14H18FNO2S/c1-16(11-5-6-19-9-11)8-13(17)10-3-4-14(18-2)12(15)7-10/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyFAYCNJNQXLOKAG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.45
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone (PubChem CID 62053535) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
PubChem CID62053535
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)C2CCSC2)cc1F
InChIInChI=1S/C14H18FNO2S/c1-16(11-5-6-19-9-11)8-13(17)10-3-4-14(18-2)12(15)7-10/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyFAYCNJNQXLOKAG-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051967
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 63700928
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 107399827
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681492
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone (CID 62053535) is 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone is COc1ccc(C(=O)CN(C)C2CCSC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
The InChIKey is FAYCNJNQXLOKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-16(11-5-6-19-9-11)8-13(17)10-3-4-14(18-2)12(15)7-10/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone has a molecular weight of 283.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone is sourced from PubChem (CID 62053535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).