N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H14F3N3O2S — CID 86970638

IUPACN-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCc1oc2ncnc(NC(=O)CSc3cccc(C(F)(F)F)c3)c2c1C
InChIInChI=1S/C17H14F3N3O2S/c1-9-10(2)25-16-14(9)15(21-8-22-16)23-13(24)7-26-12-5-3-4-11(6-12)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,21,22,23,24)
InChIKeyIYTHNMSUZLARIB-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.59
Rot. Bonds4

About N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 86970638) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID86970638
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCc1oc2ncnc(NC(=O)CSc3cccc(C(F)(F)F)c3)c2c1C
InChIInChI=1S/C17H14F3N3O2S/c1-9-10(2)25-16-14(9)15(21-8-22-16)23-13(24)7-26-12-5-3-4-11(6-12)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,21,22,23,24)
InChIKeyIYTHNMSUZLARIB-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)acetamide
CID 86970630
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 3485366
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 86970638) is N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is Cc1oc2ncnc(NC(=O)CSc3cccc(C(F)(F)F)c3)c2c1C.
What is the InChIKey of N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is IYTHNMSUZLARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-9-10(2)25-16-14(9)15(21-8-22-16)23-13(24)7-26-12-5-3-4-11(6-12)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 381.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 86970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).