N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide

C16H16F3NO5S — CID 20859726

IUPACN-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H16F3NO5S/c1-24-8-7-20-15(21)14-6-5-12(25-14)10-26(22,23)13-4-2-3-11(9-13)16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyJBRVEDABOVYBGX-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.65
Rot. Bonds7

About N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide

N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859726) has the molecular formula C16H16F3NO5S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
PubChem CID20859726
Molecular FormulaC16H16F3NO5S
Molecular Weight391.37 g/mol
Exact Mass391.07
IUPAC NameN-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H16F3NO5S/c1-24-8-7-20-15(21)14-6-5-12(25-14)10-26(22,23)13-4-2-3-11(9-13)16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyJBRVEDABOVYBGX-UHFFFAOYSA-N
XLogP2.65
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859736
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 3244186
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 46857835
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
(2S)-N-(2-methoxyethyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493338
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide (CID 20859726) is N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide is COCCNC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The InChIKey is JBRVEDABOVYBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO5S/c1-24-8-7-20-15(21)14-6-5-12(25-14)10-26(22,23)13-4-2-3-11(9-13)16(17,18)19/h2-6,9H,7-8,10H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).