N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C13H11F2N3O2S — CID 110379521

IUPACN-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nccc(=O)[nH]1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H11F2N3O2S/c1-7(21-13-16-5-4-11(19)18-13)12(20)17-10-6-8(14)2-3-9(10)15/h2-7H,1H3,(H,17,20)(H,16,18,19)
InChIKeyWFBNPJUXJDVDKE-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.17
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 110379521) has the molecular formula C13H11F2N3O2S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID110379521
Molecular FormulaC13H11F2N3O2S
Molecular Weight311.31 g/mol
Exact Mass311.05
IUPAC NameN-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nccc(=O)[nH]1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H11F2N3O2S/c1-7(21-13-16-5-4-11(19)18-13)12(20)17-10-6-8(14)2-3-9(10)15/h2-7H,1H3,(H,17,20)(H,16,18,19)
InChIKeyWFBNPJUXJDVDKE-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685867
(2S)-N-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41112407
N-(2,5-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685519
(2S)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575933
(2R)-N-(2,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575932
(2R)-N-(3,5-dichlorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575861
(2R)-N-(2,3-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575734
(2R)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 7575727
(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575913
methyl 2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 110379512
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
N-(3-chloro-4-methylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 20999450

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 110379521) is N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is CC(Sc1nccc(=O)[nH]1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is WFBNPJUXJDVDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2S/c1-7(21-13-16-5-4-11(19)18-13)12(20)17-10-6-8(14)2-3-9(10)15/h2-7H,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 311.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 110379521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).