N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide

C24H19F2N3O2S — CID 17023151

IUPACN-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)CSc1nccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H19F2N3O2S/c1-15-12-19(31-23(25)26)8-9-20(15)28-22(30)14-32-24-27-11-10-21(29-24)18-7-6-16-4-2-3-5-17(16)13-18/h2-13,23H,14H2,1H3,(H,28,30)
InChIKeyJHPVZQMQGFEIPI-UHFFFAOYSA-N
MW451.50 g/mol
LogP5.94
Rot. Bonds7

About N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide

N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 17023151) has the molecular formula C24H19F2N3O2S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID17023151
Molecular FormulaC24H19F2N3O2S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)CSc1nccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H19F2N3O2S/c1-15-12-19(31-23(25)26)8-9-20(15)28-22(30)14-32-24-27-11-10-21(29-24)18-7-6-16-4-2-3-5-17(16)13-18/h2-13,23H,14H2,1H3,(H,28,30)
InChIKeyJHPVZQMQGFEIPI-UHFFFAOYSA-N
XLogP5.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 17023136
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 17023330
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 19583218
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
CID 3461193
2-[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 4773694
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
CID 19580847
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 45498547
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1166089
2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 2691479
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17023191

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 17023151) is N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(OC(F)F)ccc1NC(=O)CSc1nccc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JHPVZQMQGFEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2S/c1-15-12-19(31-23(25)26)8-9-20(15)28-22(30)14-32-24-27-11-10-21(29-24)18-7-6-16-4-2-3-5-17(16)13-18/h2-13,23H,14H2,1H3,(H,28,30).
What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 451.50 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 17023151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).