2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide

C18H15N3O3S — CID 1299166

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H15N3O3S/c22-16-10-11-19-18(21-16)25-12-17(23)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,19,21,22)
InChIKeyDFKSGVZOGHFZKY-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.29
Rot. Bonds6

About 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 1299166) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
PubChem CID1299166
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H15N3O3S/c22-16-10-11-19-18(21-16)25-12-17(23)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,19,21,22)
InChIKeyDFKSGVZOGHFZKY-UHFFFAOYSA-N
XLogP3.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (CID 1299166) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is DFKSGVZOGHFZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-16-10-11-19-18(21-16)25-12-17(23)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1299166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).