2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide

C21H21N3O3S — CID 48666930

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-26-16-5-8-18(9-6-16)28-14-20(25)24-19-10-7-17(13-15(19)2)27-21-22-11-4-12-23-21/h4-13H,3,14H2,1-2H3,(H,24,25)
InChIKeyREIIZKZCIYDEEV-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.71
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 48666930) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID48666930
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-3-26-16-5-8-18(9-6-16)28-14-20(25)24-19-10-7-17(13-15(19)2)27-21-22-11-4-12-23-21/h4-13H,3,14H2,1-2H3,(H,24,25)
InChIKeyREIIZKZCIYDEEV-UHFFFAOYSA-N
XLogP4.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9428221
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 119753531
3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide
CID 48666767
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
CID 71934170
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide (CID 48666930) is 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide is CCOc1ccc(SCC(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is REIIZKZCIYDEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-26-16-5-8-18(9-6-16)28-14-20(25)24-19-10-7-17(13-15(19)2)27-21-22-11-4-12-23-21/h4-13H,3,14H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 48666930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).