N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

C18H17N3O4S — CID 121090785

IUPACN-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-24-14-6-5-12(8-15(14)25-2)20-17(22)10-21-11-19-13(9-18(21)23)16-4-3-7-26-16/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyVISDFOKUQDPMCB-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.63
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (PubChem CID 121090785) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
PubChem CID121090785
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-24-14-6-5-12(8-15(14)25-2)20-17(22)10-21-11-19-13(9-18(21)23)16-4-3-7-26-16/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyVISDFOKUQDPMCB-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

Analyze N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
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
2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide
CID 121090934
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685835
N-(3,4-dimethoxyphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 43935558
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090879
N-(2-methylquinolin-5-yl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090936
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetyl]amino]ethyl]benzamide
CID 121090941
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530567
N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide (CID 121090785) is N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is COc1ccc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is VISDFOKUQDPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-24-14-6-5-12(8-15(14)25-2)20-17(22)10-21-11-19-13(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-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121090785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).