N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

C15H15ClFN3O3S — CID 135543441

IUPACN-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc(O)cc1=O
InChIInChI=1S/C15H15ClFN3O3S/c1-2-5-20-14(23)7-12(21)19-15(20)24-8-13(22)18-11-4-3-9(16)6-10(11)17/h3-4,6-7,21H,2,5,8H2,1H3,(H,18,22)
InChIKeyJRDBPVIRGZODCS-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.88
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135543441) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135543441
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc(O)cc1=O
InChIInChI=1S/C15H15ClFN3O3S/c1-2-5-20-14(23)7-12(21)19-15(20)24-8-13(22)18-11-4-3-9(16)6-10(11)17/h3-4,6-7,21H,2,5,8H2,1H3,(H,18,22)
InChIKeyJRDBPVIRGZODCS-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431156
(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139557
N-(4-chlorophenyl)-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135461905
N-(4-chlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135442547
N-(3-chloro-4-fluorophenyl)-2-[(4-hydroxy-2-pyrimidinyl)thio]acetamide
CID 973107
N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2539933
N-(3-chlorophenyl)-3-methyl-2-(methylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide hydrobromide
CID 2936824
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 42739082
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
2-(6-hydroxy-1-methyl-4-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135431911
N-tert-butyl-2-[1-(2-fluorophenyl)-6-hydroxy-4-oxopyrimidin-2-yl]sulfanylacetamide
CID 135449212
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 135456219

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (CID 135543441) is N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc(O)cc1=O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JRDBPVIRGZODCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c1-2-5-20-14(23)7-12(21)19-15(20)24-8-13(22)18-11-4-3-9(16)6-10(11)17/h3-4,6-7,21H,2,5,8H2,1H3,(H,18,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 371.82 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135543441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).