N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C17H21N3O3S — CID 2085877

IUPACN-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc(OC)c1
InChIInChI=1S/C17H21N3O3S/c1-10-11(2)18-17(19-12(10)3)24-9-16(21)20-13-6-14(22-4)8-15(7-13)23-5/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyACEGWNWPZKPLCQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.15
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2085877) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2085877
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc(OC)c1
InChIInChI=1S/C17H21N3O3S/c1-10-11(2)18-17(19-12(10)3)24-9-16(21)20-13-6-14(22-4)8-15(7-13)23-5/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyACEGWNWPZKPLCQ-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2085877) is N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is COc1cc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ACEGWNWPZKPLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-11(2)18-17(19-12(10)3)24-9-16(21)20-13-6-14(22-4)8-15(7-13)23-5/h6-8H,9H2,1-5H3,(H,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(3,5-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-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2085877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).