N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide

C15H19F3N2O4S — CID 46551960

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
SMILESCN(C(=O)CNc1ccccc1OCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19F3N2O4S/c1-20(11-6-7-25(22,23)9-11)14(21)8-19-12-4-2-3-5-13(12)24-10-15(16,17)18/h2-5,11,19H,6-10H2,1H3
InChIKeyVVTLCBMJTMGODI-UHFFFAOYSA-N
MW380.39 g/mol
LogP1.69
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide (PubChem CID 46551960) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
PubChem CID46551960
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
SMILESCN(C(=O)CNc1ccccc1OCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19F3N2O4S/c1-20(11-6-7-25(22,23)9-11)14(21)8-19-12-4-2-3-5-13(12)24-10-15(16,17)18/h2-5,11,19H,6-10H2,1H3
InChIKeyVVTLCBMJTMGODI-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(2-ethoxyanilino)-N-methylpropanamide
CID 109026654
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethoxyphenyl)-N,2,2-trimethylpropanediamide
CID 108964769
2-[2-(azepan-1-yl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 42891319
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812
2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001910
methyl 3-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-4-fluorobenzoate
CID 43052619
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109003538
N-(4-chlorophenyl)-2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]benzamide
CID 46700598
N-(2-tert-butylphenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methylpropanediamide
CID 108949225
2-[4-(dimethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001942
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2672919

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide (CID 46551960) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide is CN(C(=O)CNc1ccccc1OCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The InChIKey is VVTLCBMJTMGODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-20(11-6-7-25(22,23)9-11)14(21)8-19-12-4-2-3-5-13(12)24-10-15(16,17)18/h2-5,11,19H,6-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide has a molecular weight of 380.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide is sourced from PubChem (CID 46551960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).