2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C21H21N3O3S — CID 121063799

IUPAC2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc(SC)c3)cn2)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-27-17-9-7-15(8-10-17)19-12-21(26)24(14-22-19)13-20(25)23-16-5-4-6-18(11-16)28-2/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeyFMSAHGTYTDQSJH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.67
Rot. Bonds7

About 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 121063799) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID121063799
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc(SC)c3)cn2)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-27-17-9-7-15(8-10-17)19-12-21(26)24(14-22-19)13-20(25)23-16-5-4-6-18(11-16)28-2/h4-12,14H,3,13H2,1-2H3,(H,23,25)
InChIKeyFMSAHGTYTDQSJH-UHFFFAOYSA-N
XLogP3.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 53334341
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 18592320
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063780
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121063835
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 16957033
N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 52901306
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899154
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 30935810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 121063799) is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc(SC)c3)cn2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is FMSAHGTYTDQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-27-17-9-7-15(8-10-17)19-12-21(26)24(14-22-19)13-20(25)23-16-5-4-6-18(11-16)28-2/h4-12,14H,3,13H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 121063799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).