2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide

C23H18N4OS — CID 40560476

IUPAC2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccn1
InChIInChI=1S/C23H18N4OS/c28-22(27-21-13-7-8-14-24-21)16-29-23-25-19(17-9-3-1-4-10-17)15-20(26-23)18-11-5-2-6-12-18/h1-15H,16H2,(H,24,27,28)
InChIKeyFVOMQEODGRXRSH-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.94
Rot. Bonds6

About 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide

2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 40560476) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID40560476
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccn1
InChIInChI=1S/C23H18N4OS/c28-22(27-21-13-7-8-14-24-21)16-29-23-25-19(17-9-3-1-4-10-17)15-20(26-23)18-11-5-2-6-12-18/h1-15H,16H2,(H,24,27,28)
InChIKeyFVOMQEODGRXRSH-UHFFFAOYSA-N
XLogP4.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide 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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 684403
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
CID 141358912
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1338155
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 4298735

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide (CID 40560476) is 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide is O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccn1.
What is the InChIKey of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is FVOMQEODGRXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c28-22(27-21-13-7-8-14-24-21)16-29-23-25-19(17-9-3-1-4-10-17)15-20(26-23)18-11-5-2-6-12-18/h1-15H,16H2,(H,24,27,28).
What are the key properties of 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 398.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 40560476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).