N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide

C13H12ClN3O3S — CID 135461905

IUPACN-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O
InChIInChI=1S/C13H12ClN3O3S/c1-17-12(20)6-10(18)16-13(17)21-7-11(19)15-9-4-2-8(14)3-5-9/h2-6,18H,7H2,1H3,(H,15,19)
InChIKeySKWBDWUFBYVONC-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.87
Rot. Bonds4

About N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135461905) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135461905
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O
InChIInChI=1S/C13H12ClN3O3S/c1-17-12(20)6-10(18)16-13(17)21-7-11(19)15-9-4-2-8(14)3-5-9/h2-6,18H,7H2,1H3,(H,15,19)
InChIKeySKWBDWUFBYVONC-UHFFFAOYSA-N
XLogP1.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135461905) is N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is SKWBDWUFBYVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-17-12(20)6-10(18)16-13(17)21-7-11(19)15-9-4-2-8(14)3-5-9/h2-6,18H,7H2,1H3,(H,15,19).
What are the key properties of N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 325.78 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135461905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).