2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide

C21H15F2N3O3S — CID 5228473

IUPAC2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)c1ccccc1
InChIInChI=1S/C21H15F2N3O3S/c1-24(14-5-3-2-4-6-14)18(27)12-25-17-9-10-30-19(17)20(28)26(21(25)29)16-8-7-13(22)11-15(16)23/h2-11H,12H2,1H3
InChIKeyGCAIZJOLOLLSSY-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.16
Rot. Bonds4

About 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide

2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 5228473) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID5228473
Molecular FormulaC21H15F2N3O3S
Molecular Weight427.43 g/mol
Exact Mass427.08
IUPAC Name2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)c1ccccc1
InChIInChI=1S/C21H15F2N3O3S/c1-24(14-5-3-2-4-6-14)18(27)12-25-17-9-10-30-19(17)20(28)26(21(25)29)16-8-7-13(22)11-15(16)23/h2-11H,12H2,1H3
InChIKeyGCAIZJOLOLLSSY-UHFFFAOYSA-N
XLogP3.16
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22428088
1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331598
N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428113
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
CID 46923905
3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22427932
3-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 66502624
N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 15992319
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923932
2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-propylacetamide
CID 42811202
2-(8-butyl-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl)-N-methyl-N-phenylacetamide
CID 53199447
2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 50926569
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide (CID 5228473) is 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)c1ccccc1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is GCAIZJOLOLLSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c1-24(14-5-3-2-4-6-14)18(27)12-25-17-9-10-30-19(17)20(28)26(21(25)29)16-8-7-13(22)11-15(16)23/h2-11H,12H2,1H3.
What are the key properties of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 427.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 5228473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).