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

C13H12FN3O2S — CID 7183857

IUPACN-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccnc(=O)[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O2S/c14-10-3-1-9(2-4-10)7-16-11(18)8-20-12-5-6-15-13(19)17-12/h1-6H,7-8H2,(H,16,18)(H,15,17,19)
InChIKeySQSJJGBOGRDHHW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 7183857) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID7183857
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccnc(=O)[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O2S/c14-10-3-1-9(2-4-10)7-16-11(18)8-20-12-5-6-15-13(19)17-12/h1-6H,7-8H2,(H,16,18)(H,15,17,19)
InChIKeySQSJJGBOGRDHHW-UHFFFAOYSA-N
XLogP1.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 7183857) is N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is O=C(CSc1ccnc(=O)[nH]1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is SQSJJGBOGRDHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c14-10-3-1-9(2-4-10)7-16-11(18)8-20-12-5-6-15-13(19)17-12/h1-6H,7-8H2,(H,16,18)(H,15,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).