2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C15H17N3O3S — CID 135399186

IUPAC2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C)cc2)nc(O)cc1=O
InChIInChI=1S/C15H17N3O3S/c1-3-18-14(21)8-12(19)17-15(18)22-9-13(20)16-11-6-4-10(2)5-7-11/h4-8,19H,3,9H2,1-2H3,(H,16,20)
InChIKeyIKJJFAPINBEDPT-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.01
Rot. Bonds5

About 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 135399186) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID135399186
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C)cc2)nc(O)cc1=O
InChIInChI=1S/C15H17N3O3S/c1-3-18-14(21)8-12(19)17-15(18)22-9-13(20)16-11-6-4-10(2)5-7-11/h4-8,19H,3,9H2,1-2H3,(H,16,20)
InChIKeyIKJJFAPINBEDPT-UHFFFAOYSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 135471749
2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 6468543
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135431911
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
2-(1-ethyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3190057
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 19729650
2-[[6-ethyl-3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 50841447
methyl 4-[[2-[[6-ethyl-3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetyl]amino]benzoate
CID 50841684
2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 21371162
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 135399186) is 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is CCn1c(SCC(=O)Nc2ccc(C)cc2)nc(O)cc1=O.
What is the InChIKey of 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is IKJJFAPINBEDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-18-14(21)8-12(19)17-15(18)22-9-13(20)16-11-6-4-10(2)5-7-11/h4-8,19H,3,9H2,1-2H3,(H,16,20).
What are the key properties of 2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.01, 5 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-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135399186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).