2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

C20H19N3O4S — CID 1073879

IUPAC2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H19N3O4S/c1-27-16-10-6-5-9-15(16)21-17(24)12-28-20-22-18(25)14(19(26)23-20)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H2,22,23,25,26)
InChIKeyZALWOAAPDZKCRL-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.81
Rot. Bonds7

About 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 1073879) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID1073879
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H19N3O4S/c1-27-16-10-6-5-9-15(16)21-17(24)12-28-20-22-18(25)14(19(26)23-20)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H2,22,23,25,26)
InChIKeyZALWOAAPDZKCRL-UHFFFAOYSA-N
XLogP2.81
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CID 1073879) is 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZALWOAAPDZKCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-16-10-6-5-9-15(16)21-17(24)12-28-20-22-18(25)14(19(26)23-20)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1073879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).