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

C12H9F2N3O2S — CID 6462283

IUPACN-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C12H9F2N3O2S/c13-7-1-2-9(8(14)5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyJFJAMQVFVYRCNY-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.78
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 6462283) has the molecular formula C12H9F2N3O2S and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID6462283
Molecular FormulaC12H9F2N3O2S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC NameN-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C12H9F2N3O2S/c13-7-1-2-9(8(14)5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyJFJAMQVFVYRCNY-UHFFFAOYSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
1-(4-Fluorophenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinolate
CID 23704117
4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-
CID 100235
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
3-(4-fluorophenyl)-2-(methylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756752
2-(ethylthio)-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756753
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 861423
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 973107
2-{[6-Oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetic acid
CID 1481693
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2642676
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3236056
3-(4-fluorophenyl)-2-(isopropylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 3238661

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 6462283) is N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is JFJAMQVFVYRCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2S/c13-7-1-2-9(8(14)5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18).
What are the key properties of N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 297.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6462283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).