N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C17H21N3O3S — CID 17434098

IUPACN-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)c(C)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-10-11(2)18-17(19-12(10)3)24-9-16(21)20-14-8-13(22-4)6-7-15(14)23-5/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyPOCCMQMCLKLZPI-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.15
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 17434098) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID17434098
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)c(C)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-10-11(2)18-17(19-12(10)3)24-9-16(21)20-14-8-13(22-4)6-7-15(14)23-5/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyPOCCMQMCLKLZPI-UHFFFAOYSA-N
XLogP3.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2088056
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 6402774
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3374727
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259156
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 8708070
N-(5-chloro-2-methoxyphenyl)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6401524
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 17434098) is N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)c(C)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is POCCMQMCLKLZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-11(2)18-17(19-12(10)3)24-9-16(21)20-14-8-13(22-4)6-7-15(14)23-5/h6-8H,9H2,1-5H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 17434098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).