N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C16H17F2N3O3S — CID 46530609

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1OC(F)F
InChIInChI=1S/C16H17F2N3O3S/c1-9-6-10(2)20-16(19-9)25-8-14(22)21-11-4-5-12(23-3)13(7-11)24-15(17)18/h4-7,15H,8H2,1-3H3,(H,21,22)
InChIKeyVHGWSGDJAFDXOI-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.43
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 46530609) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID46530609
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1OC(F)F
InChIInChI=1S/C16H17F2N3O3S/c1-9-6-10(2)20-16(19-9)25-8-14(22)21-11-4-5-12(23-3)13(7-11)24-15(17)18/h4-7,15H,8H2,1-3H3,(H,21,22)
InChIKeyVHGWSGDJAFDXOI-UHFFFAOYSA-N
XLogP3.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 46530609) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VHGWSGDJAFDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-9-6-10(2)20-16(19-9)25-8-14(22)21-11-4-5-12(23-3)13(7-11)24-15(17)18/h4-7,15H,8H2,1-3H3,(H,21,22).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 369.39 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46530609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).