N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide

C19H19N3OS2 — CID 2811874

IUPACN-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C19H19N3OS2/c1-13(2)14-5-7-15(8-6-14)21-18(23)12-25-19-20-10-9-16(22-19)17-4-3-11-24-17/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyUUBHDKPSKIQBFE-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.06
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide

N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2811874) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2811874
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC NameN-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C19H19N3OS2/c1-13(2)14-5-7-15(8-6-14)21-18(23)12-25-19-20-10-9-16(22-19)17-4-3-11-24-17/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyUUBHDKPSKIQBFE-UHFFFAOYSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-propan-2-ylphenyl)-2-(4-thiophen-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-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 2811874) is N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide is CC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UUBHDKPSKIQBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-13(2)14-5-7-15(8-6-14)21-18(23)12-25-19-20-10-9-16(22-19)17-4-3-11-24-17/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 369.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2811874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).