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

C15H16ClN3O3S — CID 135558610

IUPACN-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2Cl)nc(O)cc1=O
InChIInChI=1S/C15H16ClN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-6-4-3-5-10(11)16/h3-6,8,20H,2,7,9H2,1H3,(H,17,21)
InChIKeyUZPKBMBOWDLBEC-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.74
Rot. Bonds6

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

N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135558610) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135558610
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC NameN-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2Cl)nc(O)cc1=O
InChIInChI=1S/C15H16ClN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-6-4-3-5-10(11)16/h3-6,8,20H,2,7,9H2,1H3,(H,17,21)
InChIKeyUZPKBMBOWDLBEC-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (CID 135558610) is N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)Nc2ccccc2Cl)nc(O)cc1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UZPKBMBOWDLBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-6-4-3-5-10(11)16/h3-6,8,20H,2,7,9H2,1H3,(H,17,21).
What are the key properties of N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 353.83 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135558610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).