N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide

C16H15F3N2O4S — CID 90584171

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C16H15F3N2O4S/c1-24-13(10-6-7-26-9-10)8-20-14(22)15(23)21-11-2-4-12(5-3-11)25-16(17,18)19/h2-7,9,13H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyROKBZHWRBRTJHK-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.09
Rot. Bonds6

About N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide

N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 90584171) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID90584171
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C16H15F3N2O4S/c1-24-13(10-6-7-26-9-10)8-20-14(22)15(23)21-11-2-4-12(5-3-11)25-16(17,18)19/h2-7,9,13H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyROKBZHWRBRTJHK-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 122161523
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16932665
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 71804798
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide (CID 90584171) is N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide is COC(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is ROKBZHWRBRTJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-24-13(10-6-7-26-9-10)8-20-14(22)15(23)21-11-2-4-12(5-3-11)25-16(17,18)19/h2-7,9,13H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 388.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 90584171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).