2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H15F3N4O3S — CID 2529551

IUPAC2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ncnc2sccc12
InChIInChI=1S/C18H15F3N4O3S/c1-25(8-14(26)24-13-5-3-2-4-12(13)18(19,20)21)15(27)9-28-16-11-6-7-29-17(11)23-10-22-16/h2-7,10H,8-9H2,1H3,(H,24,26)
InChIKeyGXWUVWFAMVQAFC-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.19
Rot. Bonds6

About 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2529551) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2529551
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ncnc2sccc12
InChIInChI=1S/C18H15F3N4O3S/c1-25(8-14(26)24-13-5-3-2-4-12(13)18(19,20)21)15(27)9-28-16-11-6-7-29-17(11)23-10-22-16/h2-7,10H,8-9H2,1H3,(H,24,26)
InChIKeyGXWUVWFAMVQAFC-UHFFFAOYSA-N
XLogP3.19
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2529551) is 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ncnc2sccc12.
What is the InChIKey of 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GXWUVWFAMVQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-25(8-14(26)24-13-5-3-2-4-12(13)18(19,20)21)15(27)9-28-16-11-6-7-29-17(11)23-10-22-16/h2-7,10H,8-9H2,1H3,(H,24,26).
What are the key properties of 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 424.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2529551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).