N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C17H10Cl2F3N3O2S — CID 1152502

About N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 1152502) has the molecular formula C17H10Cl2F3N3O2S and a molecular weight of 448.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
• PubChem CID: 1152502
• Molecular Formula: C17H10Cl2F3N3O2S
• Molecular Weight: 448.25 g/mol
• Exact Mass: 446.98
• IUPAC Name: N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
• SMILES: O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C17H10Cl2F3N3O2S/c18-9-4-10(19)6-11(5-9)23-15(26)8-28-16-24-12(13-2-1-3-27-13)7-14(25-16)17(20,21)22/h1-7H,8H2,(H,23,26)
• InChIKey: KEMMLEHLCXAMKC-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.25
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?

The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 1152502) is N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?

The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Cl)cc(Cl)c1.

What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?

The InChIKey is KEMMLEHLCXAMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O2S/c18-9-4-10(19)6-11(5-9)23-15(26)8-28-16-24-12(13-2-1-3-27-13)7-14(25-16)17(20,21)22/h1-7H,8H2,(H,23,26).

What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?

N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 448.25 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1152502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).