2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide

C15H16F3N3O3S — CID 15996010

IUPAC2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O3S/c1-21(5-7-23-2)13(22)9-25-14-19-10(11-4-3-6-24-11)8-12(20-14)15(16,17)18/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeyCLKRUDAGBXCAMZ-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide

2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 15996010) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide
PubChem CID15996010
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC Name2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O3S/c1-21(5-7-23-2)13(22)9-25-14-19-10(11-4-3-6-24-11)8-12(20-14)15(16,17)18/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeyCLKRUDAGBXCAMZ-UHFFFAOYSA-N
XLogP2.95
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1152649
3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl chloride
CID 7017708
4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)butanamide
CID 3148126
N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1152502
2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-methoxy-5-nitrophenyl)acetamide
CID 1152620
N,N-dimethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 71296347
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 1152682
N-(2,4-dimethoxyphenyl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1164861
2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 1152611
3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 654534
N-(1,3-dimethylpyrazol-4-yl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 651896
N-(2-ethylphenyl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1164857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide (CID 15996010) is 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide is COCCN(C)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is CLKRUDAGBXCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-21(5-7-23-2)13(22)9-25-14-19-10(11-4-3-6-24-11)8-12(20-14)15(16,17)18/h3-4,6,8H,5,7,9H2,1-2H3.
What are the key properties of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide?
2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 375.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 15996010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).