2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C15H16FN3O3S — CID 4556144

IUPAC2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H16FN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-6-4-3-5-10(11)16/h3-6H,2,7-9H2,1H3,(H,17,21)
InChIKeyUJMCELQDIDEZEU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.02
Rot. Bonds5

About 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 4556144) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID4556144
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H16FN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-6-4-3-5-10(11)16/h3-6H,2,7-9H2,1H3,(H,17,21)
InChIKeyUJMCELQDIDEZEU-UHFFFAOYSA-N
XLogP2.02
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide
CID 42884075
N-(2-fluorophenyl)butanamide
CID 849021
3-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-5-oxo-6H-1,2,4-triazin-6-yl]propanoic acid
CID 78457951
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 42754057
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluorophenyl)-2-[[2-(4-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 53034617
N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337356
N-(2-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183852
N-[(2-fluorophenyl)carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626817
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 4556144) is 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is CCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is UJMCELQDIDEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-6-4-3-5-10(11)16/h3-6H,2,7-9H2,1H3,(H,17,21).
What are the key properties of 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4556144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).