N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

C18H17N3O4S — CID 121090783

IUPACN-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)c(OC)c1
InChIInChI=1S/C18H17N3O4S/c1-24-12-5-6-13(15(8-12)25-2)20-17(22)10-21-11-19-14(9-18(21)23)16-4-3-7-26-16/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyVHUSGPOUUGQZKT-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.63
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (PubChem CID 121090783) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
PubChem CID121090783
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)c(OC)c1
InChIInChI=1S/C18H17N3O4S/c1-24-12-5-6-13(15(8-12)25-2)20-17(22)10-21-11-19-14(9-18(21)23)16-4-3-7-26-16/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyVHUSGPOUUGQZKT-UHFFFAOYSA-N
XLogP2.63
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N-(3,5-dimethylphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090808
N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063856
N-(2-methylquinolin-5-yl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090936
N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 23610222
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090879
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288553
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-(2,4-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2047946

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (CID 121090783) is N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is COc1ccc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is VHUSGPOUUGQZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-24-12-5-6-13(15(8-12)25-2)20-17(22)10-21-11-19-14(9-18(21)23)16-4-3-7-26-16/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121090783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).