N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

C16H18ClN3O4S — CID 135558635

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(O)cc1=O
InChIInChI=1S/C16H18ClN3O4S/c1-3-6-20-15(23)8-13(21)19-16(20)25-9-14(22)18-11-7-10(17)4-5-12(11)24-2/h4-5,7-8,21H,3,6,9H2,1-2H3,(H,18,22)
InChIKeyJVQCNADSIWAPAJ-UHFFFAOYSA-N
MW383.86 g/mol
LogP2.75
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135558635) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135558635
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(O)cc1=O
InChIInChI=1S/C16H18ClN3O4S/c1-3-6-20-15(23)8-13(21)19-16(20)25-9-14(22)18-11-7-10(17)4-5-12(11)24-2/h4-5,7-8,21H,3,6,9H2,1-2H3,(H,18,22)
InChIKeyJVQCNADSIWAPAJ-UHFFFAOYSA-N
XLogP2.75
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide (CID 135558635) is N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(O)cc1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JVQCNADSIWAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-3-6-20-15(23)8-13(21)19-16(20)25-9-14(22)18-11-7-10(17)4-5-12(11)24-2/h4-5,7-8,21H,3,6,9H2,1-2H3,(H,18,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 383.86 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135558635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).