N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide

C16H15F3N2O4S — CID 52531110

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
SMILESO=C(COc1ccc2ccc(C(F)(F)F)nc2c1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)14-4-2-10-1-3-12(7-13(10)21-14)25-8-15(22)20-11-5-6-26(23,24)9-11/h1-4,7,11H,5-6,8-9H2,(H,20,22)/t11-/m1/s1
InChIKeyVIQUJVOYDXHJMW-LLVKDONJSA-N
MW388.37 g/mol
LogP1.94
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide (PubChem CID 52531110) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
PubChem CID52531110
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
SMILESO=C(COc1ccc2ccc(C(F)(F)F)nc2c1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)14-4-2-10-1-3-12(7-13(10)21-14)25-8-15(22)20-11-5-6-26(23,24)9-11/h1-4,7,11H,5-6,8-9H2,(H,20,22)/t11-/m1/s1
InChIKeyVIQUJVOYDXHJMW-LLVKDONJSA-N
XLogP1.94
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 78544557
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenoxy)acetamide
CID 7079987
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide (CID 52531110) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide is O=C(COc1ccc2ccc(C(F)(F)F)nc2c1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The InChIKey is VIQUJVOYDXHJMW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c17-16(18,19)14-4-2-10-1-3-12(7-13(10)21-14)25-8-15(22)20-11-5-6-26(23,24)9-11/h1-4,7,11H,5-6,8-9H2,(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide has a molecular weight of 388.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide is sourced from PubChem (CID 52531110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).