2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide

C12H11N3O2S — CID 7183834

IUPAC2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1ccnc(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C12H11N3O2S/c16-10(14-9-4-2-1-3-5-9)8-18-11-6-7-13-12(17)15-11/h1-7H,8H2,(H,14,16)(H,13,15,17)
InChIKeyFSZQISNYZVZKMT-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.50
Rot. Bonds4

About 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide

2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide (PubChem CID 7183834) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
PubChem CID7183834
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1ccnc(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C12H11N3O2S/c16-10(14-9-4-2-1-3-5-9)8-18-11-6-7-13-12(17)15-11/h1-7H,8H2,(H,14,16)(H,13,15,17)
InChIKeyFSZQISNYZVZKMT-UHFFFAOYSA-N
XLogP1.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide (CID 7183834) is 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1ccnc(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is FSZQISNYZVZKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-10(14-9-4-2-1-3-5-9)8-18-11-6-7-13-12(17)15-11/h1-7H,8H2,(H,14,16)(H,13,15,17).
What are the key properties of 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide?
2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 261.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 7183834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).