2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C14H18FNO4S — CID 7256199

IUPAC2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(C(=O)COc1ccc(F)cc1)[C@@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C14H18FNO4S/c1-14(7-8-21(18,19)10-14)16(2)13(17)9-20-12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyDAJJLFTUIKGYJN-AWEZNQCLSA-N
MW315.37 g/mol
LogP1.24
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7256199) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7256199
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(C(=O)COc1ccc(F)cc1)[C@@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C14H18FNO4S/c1-14(7-8-21(18,19)10-14)16(2)13(17)9-20-12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyDAJJLFTUIKGYJN-AWEZNQCLSA-N
XLogP1.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
2-(4-chlorophenoxy)-N-methyl-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16265693
2-(3-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 25163860
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-methyl-2-[3-(3-methyl-butoxy)-phenoxy]-acetamide
CID 649793
2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydro-3-thienyl)-N-methylacetamide
CID 2941615
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide
CID 633100
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4520259
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 2729771
2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 3236331
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-fluorobenzyl)-2-(2-methylphenoxy)acetamide
CID 16438281

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 7256199) is 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is CN(C(=O)COc1ccc(F)cc1)[C@@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is DAJJLFTUIKGYJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-14(7-8-21(18,19)10-14)16(2)13(17)9-20-12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7256199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).