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

C19H15F2N3O2S — CID 19583218

IUPAC2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)Nc1ccccc1
InChIInChI=1S/C19H15F2N3O2S/c20-18(21)26-15-8-6-13(7-9-15)16-10-11-22-19(24-16)27-12-17(25)23-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,23,25)
InChIKeyNDAARGYLMQUTAZ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.48
Rot. Bonds7

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

2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 19583218) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID19583218
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)Nc1ccccc1
InChIInChI=1S/C19H15F2N3O2S/c20-18(21)26-15-8-6-13(7-9-15)16-10-11-22-19(24-16)27-12-17(25)23-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,23,25)
InChIKeyNDAARGYLMQUTAZ-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 17023330
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
CID 19580847
2-[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 4773694
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-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17023191
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 19583117
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8554081
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 45498547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide (CID 19583218) is 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide is O=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)Nc1ccccc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is NDAARGYLMQUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c20-18(21)26-15-8-6-13(7-9-15)16-10-11-22-19(24-16)27-12-17(25)23-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,23,25).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 387.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 19583218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).