N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

C19H15BrFN3OS — CID 51365089

IUPACN-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H15BrFN3OS/c1-12-8-18(24-19(22-12)13-4-2-6-15(21)9-13)26-11-17(25)23-16-7-3-5-14(20)10-16/h2-10H,11H2,1H3,(H,23,25)
InChIKeyFIMPVRLYOVXFLI-UHFFFAOYSA-N
MW432.32 g/mol
LogP5.08
Rot. Bonds5

About N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (PubChem CID 51365089) has the molecular formula C19H15BrFN3OS and a molecular weight of 432.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
PubChem CID51365089
Molecular FormulaC19H15BrFN3OS
Molecular Weight432.32 g/mol
Exact Mass431.01
IUPAC NameN-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H15BrFN3OS/c1-12-8-18(24-19(22-12)13-4-2-6-15(21)9-13)26-11-17(25)23-16-7-3-5-14(20)10-16/h2-10H,11H2,1H3,(H,23,25)
InChIKeyFIMPVRLYOVXFLI-UHFFFAOYSA-N
XLogP5.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 51365063
N-(3-bromophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365163
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365031
N-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365090
N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365108
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetamide
CID 2141688
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7118034
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(2,6-dimethylphenyl)-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]sulfanylacetamide
CID 50840630
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(3-acetamidophenyl)-2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7397975

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (CID 51365089) is N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is Cc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2cccc(F)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The InChIKey is FIMPVRLYOVXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3OS/c1-12-8-18(24-19(22-12)13-4-2-6-15(21)9-13)26-11-17(25)23-16-7-3-5-14(20)10-16/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide has a molecular weight of 432.32 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 51365089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).