N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H9BrF3N3O2S — CID 17425297

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H9BrF3N3O2S/c16-11-2-1-8(5-10(11)15(17,18)19)21-12(23)6-22-7-20-13-9(14(22)24)3-4-25-13/h1-5,7H,6H2,(H,21,23)
InChIKeyJKUXGWOEBODEQU-UHFFFAOYSA-N
MW432.22 g/mol
LogP3.88
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 17425297) has the molecular formula C15H9BrF3N3O2S and a molecular weight of 432.22 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID17425297
Molecular FormulaC15H9BrF3N3O2S
Molecular Weight432.22 g/mol
Exact Mass430.96
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C15H9BrF3N3O2S/c16-11-2-1-8(5-10(11)15(17,18)19)21-12(23)6-22-7-20-13-9(14(22)24)3-4-25-13/h1-5,7H,6H2,(H,21,23)
InChIKeyJKUXGWOEBODEQU-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 166205260
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 49382725
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 9001845
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 80749574
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 46695665
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
CID 8594709
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 17425297) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is JKUXGWOEBODEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O2S/c16-11-2-1-8(5-10(11)15(17,18)19)21-12(23)6-22-7-20-13-9(14(22)24)3-4-25-13/h1-5,7H,6H2,(H,21,23).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 432.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 17425297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).