2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

C17H21N3O4S — CID 31905201

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2cc(C)nc(C)n2)cc(OC)c1OC
InChIInChI=1S/C17H21N3O4S/c1-10-6-16(19-11(2)18-10)25-9-15(21)20-12-7-13(22-3)17(24-5)14(8-12)23-4/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyZHPIWQDICCDWKZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.85
Rot. Bonds7

About 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 31905201) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID31905201
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2cc(C)nc(C)n2)cc(OC)c1OC
InChIInChI=1S/C17H21N3O4S/c1-10-6-16(19-11(2)18-10)25-9-15(21)20-12-7-13(22-3)17(24-5)14(8-12)23-4/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyZHPIWQDICCDWKZ-UHFFFAOYSA-N
XLogP2.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2532628
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2592805
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 3404975
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29486546
2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetic acid
CID 115569395
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
ethyl 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 23611290
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5198981
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46688550

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (CID 31905201) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2cc(C)nc(C)n2)cc(OC)c1OC.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZHPIWQDICCDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-6-16(19-11(2)18-10)25-9-15(21)20-12-7-13(22-3)17(24-5)14(8-12)23-4/h6-8H,9H2,1-5H3,(H,20,21).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 31905201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).