2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

C19H25N3O3S — CID 135527883

IUPAC2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCCCC(C)c1c(O)nc(SCC(=O)Nc2ccccc2)n(CC)c1=O
InChIInChI=1S/C19H25N3O3S/c1-4-9-13(3)16-17(24)21-19(22(5-2)18(16)25)26-12-15(23)20-14-10-7-6-8-11-14/h6-8,10-11,13,24H,4-5,9,12H2,1-3H3,(H,20,23)
InChIKeySWJURLKQUWNJRN-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.60
Rot. Bonds8

About 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 135527883) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID135527883
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCCCC(C)c1c(O)nc(SCC(=O)Nc2ccccc2)n(CC)c1=O
InChIInChI=1S/C19H25N3O3S/c1-4-9-13(3)16-17(24)21-19(22(5-2)18(16)25)26-12-15(23)20-14-10-7-6-8-11-14/h6-8,10-11,13,24H,4-5,9,12H2,1-3H3,(H,20,23)
InChIKeySWJURLKQUWNJRN-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide 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

3-ethyl-6-hydroxy-5-[(2S)-pentan-2-yl]-2-phenacylsulfanylpyrimidin-4-one
CID 135904888
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 23832964
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 23101030
4-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 2417850
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 163408939
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
N-phenyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 5308165
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7858126
N-(4-acetamidophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16517299

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 135527883) is 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is CCCC(C)c1c(O)nc(SCC(=O)Nc2ccccc2)n(CC)c1=O.
What is the InChIKey of 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is SWJURLKQUWNJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-9-13(3)16-17(24)21-19(22(5-2)18(16)25)26-12-15(23)20-14-10-7-6-8-11-14/h6-8,10-11,13,24H,4-5,9,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 375.49 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-hydroxy-6-oxo-5-pentan-2-ylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 135527883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).