2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C15H16FN3O3S — CID 9490208

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSCc1ccccc1F
InChIInChI=1S/C15H16FN3O3S/c16-12-4-2-1-3-11(12)10-23-8-6-17-14(21)9-19-7-5-13(20)18-15(19)22/h1-5,7H,6,8-10H2,(H,17,21)(H,18,20,22)
InChIKeyPHMAGZWRLVMTIF-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.73
Rot. Bonds7

About 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 9490208) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID9490208
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSCc1ccccc1F
InChIInChI=1S/C15H16FN3O3S/c16-12-4-2-1-3-11(12)10-23-8-6-17-14(21)9-19-7-5-13(20)18-15(19)22/h1-5,7H,6,8-10H2,(H,17,21)(H,18,20,22)
InChIKeyPHMAGZWRLVMTIF-UHFFFAOYSA-N
XLogP0.73
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767757
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 17411760
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9365776
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132131
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-N-methylbenzamide
CID 55567664
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 8743519
2-(2,4-dioxopyrimidin-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17398844
4-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxybutanamide
CID 120587259
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 9490208) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCSCc1ccccc1F.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is PHMAGZWRLVMTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-12-4-2-1-3-11(12)10-23-8-6-17-14(21)9-19-7-5-13(20)18-15(19)22/h1-5,7H,6,8-10H2,(H,17,21)(H,18,20,22).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 9490208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).