3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide

C26H23N3O2S — CID 46388837

IUPAC3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1
InChIInChI=1S/C26H23N3O2S/c1-18-6-10-20(11-7-18)25-27-15-14-24(29-25)31-22-5-3-4-21(16-22)26(30)28-17-19-8-12-23(32-2)13-9-19/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyBHPFGVHKINHHHX-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.90
Rot. Bonds7

About 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 46388837) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID46388837
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1
InChIInChI=1S/C26H23N3O2S/c1-18-6-10-20(11-7-18)25-27-15-14-24(29-25)31-22-5-3-4-21(16-22)26(30)28-17-19-8-12-23(32-2)13-9-19/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyBHPFGVHKINHHHX-UHFFFAOYSA-N
XLogP5.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-methylphenyl)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

4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
CID 46388852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 46388837) is 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2cccc(Oc3ccnc(-c4ccc(C)cc4)n3)c2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is BHPFGVHKINHHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-18-6-10-20(11-7-18)25-27-15-14-24(29-25)31-22-5-3-4-21(16-22)26(30)28-17-19-8-12-23(32-2)13-9-19/h3-16H,17H2,1-2H3,(H,28,30).
What are the key properties of 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 46388837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).