N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

C20H21N3O3S — CID 121090879

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(C)cc(OCCNC(=O)Cn2cnc(-c3cccs3)cc2=O)c1
InChIInChI=1S/C20H21N3O3S/c1-14-8-15(2)10-16(9-14)26-6-5-21-19(24)12-23-13-22-17(11-20(23)25)18-4-3-7-27-18/h3-4,7-11,13H,5-6,12H2,1-2H3,(H,21,24)
InChIKeyRUOZNAIWBKFHHR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (PubChem CID 121090879) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
PubChem CID121090879
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(C)cc(OCCNC(=O)Cn2cnc(-c3cccs3)cc2=O)c1
InChIInChI=1S/C20H21N3O3S/c1-14-8-15(2)10-16(9-14)26-6-5-21-19(24)12-23-13-22-17(11-20(23)25)18-4-3-7-27-18/h3-4,7-11,13H,5-6,12H2,1-2H3,(H,21,24)
InChIKeyRUOZNAIWBKFHHR-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090808
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076845
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetyl]amino]ethyl]benzamide
CID 121090941
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
N-[2-(3-methylphenoxy)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 27859340
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19171375
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
N-(2-methylquinolin-5-yl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090936
N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051925

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (CID 121090879) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is Cc1cc(C)cc(OCCNC(=O)Cn2cnc(-c3cccs3)cc2=O)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is RUOZNAIWBKFHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-8-15(2)10-16(9-14)26-6-5-21-19(24)12-23-13-22-17(11-20(23)25)18-4-3-7-27-18/h3-4,7-11,13H,5-6,12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121090879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).