2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide

C13H11F2N3O2S — CID 19580847

IUPAC2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H11F2N3O2S/c14-12(15)20-9-3-1-8(2-4-9)10-5-6-17-13(18-10)21-7-11(16)19/h1-6,12H,7H2,(H2,16,19)
InChIKeyFFUBOZQGEXBOTL-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.32
Rot. Bonds6

About 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide

2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 19580847) has the molecular formula C13H11F2N3O2S and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
PubChem CID19580847
Molecular FormulaC13H11F2N3O2S
Molecular Weight311.31 g/mol
Exact Mass311.05
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H11F2N3O2S/c14-12(15)20-9-3-1-8(2-4-9)10-5-6-17-13(18-10)21-7-11(16)19/h1-6,12H,7H2,(H2,16,19)
InChIKeyFFUBOZQGEXBOTL-UHFFFAOYSA-N
XLogP2.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 19583218
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 17023330
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 17023151
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158479
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 17023136
4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine
CID 63549274
2-[4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 4773694
1-[3-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483095
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 19583117
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide (CID 19580847) is 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide is NC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is FFUBOZQGEXBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2S/c14-12(15)20-9-3-1-8(2-4-9)10-5-6-17-13(18-10)21-7-11(16)19/h1-6,12H,7H2,(H2,16,19).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide?
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 311.31 g/mol, XLogP of 2.32, 6 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]sulfanylacetamide is sourced from PubChem (CID 19580847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).