N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide

C18H16F3N3O2S — CID 86933333

IUPACN-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
SMILESCC(NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C18H16F3N3O2S/c1-12(15-3-2-10-26-15)23-16(25)11-27-17-22-8-9-24(17)14-6-4-13(5-7-14)18(19,20)21/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyMHJRZVBUHUKGTA-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide

N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 86933333) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
PubChem CID86933333
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
SMILESCC(NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C18H16F3N3O2S/c1-12(15-3-2-10-26-15)23-16(25)11-27-17-22-8-9-24(17)14-6-4-13(5-7-14)18(19,20)21/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyMHJRZVBUHUKGTA-UHFFFAOYSA-N
XLogP4.45
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46806678
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 78729168
N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
N-[1-(furan-2-yl)ethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43033023
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17438584
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8569743
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 40791526
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94345249

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide (CID 86933333) is N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide is CC(NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is MHJRZVBUHUKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-12(15-3-2-10-26-15)23-16(25)11-27-17-22-8-9-24(17)14-6-4-13(5-7-14)18(19,20)21/h2-10,12H,11H2,1H3,(H,23,25).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 395.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 86933333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).