2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C17H14F3N3O2S — CID 50761173

IUPAC2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)NCCc1cccs1
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)15-16(25)23(13-6-2-1-5-12(13)22-15)10-14(24)21-8-7-11-4-3-9-26-11/h1-6,9H,7-8,10H2,(H,21,24)
InChIKeyCDVOPEDOOYTSBU-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.84
Rot. Bonds5

About 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 50761173) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID50761173
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)NCCc1cccs1
InChIInChI=1S/C17H14F3N3O2S/c18-17(19,20)15-16(25)23(13-6-2-1-5-12(13)22-15)10-14(24)21-8-7-11-4-3-9-26-11/h1-6,9H,7-8,10H2,(H,21,24)
InChIKeyCDVOPEDOOYTSBU-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 31365115
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 46325103
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030755
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031147
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045252
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8870946
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 50761173) is 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)NCCc1cccs1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is CDVOPEDOOYTSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c18-17(19,20)15-16(25)23(13-6-2-1-5-12(13)22-15)10-14(24)21-8-7-11-4-3-9-26-11/h1-6,9H,7-8,10H2,(H,21,24).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 381.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 50761173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).