N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

C18H22N4OS — CID 58905048

IUPACN-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nccc(-c2ccccn2)n1)C1CCCCC1
InChIInChI=1S/C18H22N4OS/c1-22(14-7-3-2-4-8-14)17(23)13-24-18-20-12-10-16(21-18)15-9-5-6-11-19-15/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKeyOQMPIBGTTODBCP-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.42
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 58905048) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID58905048
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nccc(-c2ccccn2)n1)C1CCCCC1
InChIInChI=1S/C18H22N4OS/c1-22(14-7-3-2-4-8-14)17(23)13-24-18-20-12-10-16(21-18)15-9-5-6-11-19-15/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKeyOQMPIBGTTODBCP-UHFFFAOYSA-N
XLogP3.42
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 58905048) is N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is CN(C(=O)CSc1nccc(-c2ccccn2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is OQMPIBGTTODBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-22(14-7-3-2-4-8-14)17(23)13-24-18-20-12-10-16(21-18)15-9-5-6-11-19-15/h5-6,9-12,14H,2-4,7-8,13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 342.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 58905048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).