2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

C20H17F2N3O3S — CID 17023330

IUPAC2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C20H17F2N3O3S/c1-27-17-5-3-2-4-16(17)24-18(26)12-29-20-23-11-10-15(25-20)13-6-8-14(9-7-13)28-19(21)22/h2-11,19H,12H2,1H3,(H,24,26)
InChIKeyAIRPRWUYRICJCL-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.48
Rot. Bonds8

About 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 17023330) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID17023330
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C20H17F2N3O3S/c1-27-17-5-3-2-4-16(17)24-18(26)12-29-20-23-11-10-15(25-20)13-6-8-14(9-7-13)28-19(21)22/h2-11,19H,12H2,1H3,(H,24,26)
InChIKeyAIRPRWUYRICJCL-UHFFFAOYSA-N
XLogP4.48
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 19583218
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 17023151
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 17023136
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
CID 19580847
N-[2-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196904
N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
2-[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 4773694
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17023191
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
N-(2-methoxyphenyl)-2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 95921612
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
CID 3461193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 17023330) is 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is AIRPRWUYRICJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c1-27-17-5-3-2-4-16(17)24-18(26)12-29-20-23-11-10-15(25-20)13-6-8-14(9-7-13)28-19(21)22/h2-11,19H,12H2,1H3,(H,24,26).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 417.44 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 17023330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).