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

C16H19N3O2S — CID 2999100

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-12(7-8-13-5-3-2-4-6-13)18-15(21)11-22-16-17-10-9-14(20)19-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyGFCKSUNAXLENLC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.00
Rot. Bonds7

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

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 2999100) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID2999100
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-12(7-8-13-5-3-2-4-6-13)18-15(21)11-22-16-17-10-9-14(20)19-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyGFCKSUNAXLENLC-UHFFFAOYSA-N
XLogP2.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide (CID 2999100) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is GFCKSUNAXLENLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12(7-8-13-5-3-2-4-6-13)18-15(21)11-22-16-17-10-9-14(20)19-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2999100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).