3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide

C25H20FN3O2S — CID 53119908

IUPAC3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1
InChIInChI=1S/C25H20FN3O2S/c1-32-22-11-5-17(6-12-22)15-27-25(30)19-3-2-4-21(13-19)31-24-14-23(28-16-29-24)18-7-9-20(26)10-8-18/h2-14,16H,15H2,1H3,(H,27,30)
InChIKeyFPIJCFPSTDJJBR-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.73
Rot. Bonds7

About 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 53119908) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID53119908
Molecular FormulaC25H20FN3O2S
Molecular Weight445.52 g/mol
Exact Mass445.13
IUPAC Name3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1
InChIInChI=1S/C25H20FN3O2S/c1-32-22-11-5-17(6-12-22)15-27-25(30)19-3-2-4-21(13-19)31-24-14-23(28-16-29-24)18-7-9-20(26)10-8-18/h2-14,16H,15H2,1H3,(H,27,30)
InChIKeyFPIJCFPSTDJJBR-UHFFFAOYSA-N
XLogP5.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53119894
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 53119908) is 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)cc1.
What is the InChIKey of 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is FPIJCFPSTDJJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c1-32-22-11-5-17(6-12-22)15-27-25(30)19-3-2-4-21(13-19)31-24-14-23(28-16-29-24)18-7-9-20(26)10-8-18/h2-14,16H,15H2,1H3,(H,27,30).
What are the key properties of 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 53119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).