N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C18H23N3O3S — CID 135399049

IUPACN-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H23N3O3S/c1-5-13-15(23)19-17(25-11-14(22)20-18(2,3)4)21(16(13)24)12-9-7-6-8-10-12/h6-10,23H,5,11H2,1-4H3,(H,20,22)
InChIKeyZLRJUXLZDJKLIQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.51
Rot. Bonds5

About N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135399049) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135399049
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H23N3O3S/c1-5-13-15(23)19-17(25-11-14(22)20-18(2,3)4)21(16(13)24)12-9-7-6-8-10-12/h6-10,23H,5,11H2,1-4H3,(H,20,22)
InChIKeyZLRJUXLZDJKLIQ-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135399049) is N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ZLRJUXLZDJKLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-5-13-15(23)19-17(25-11-14(22)20-18(2,3)4)21(16(13)24)12-9-7-6-8-10-12/h6-10,23H,5,11H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 361.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135399049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).