N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C21H14ClF2N3O4S — CID 22428113

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21
InChIInChI=1S/C21H14ClF2N3O4S/c1-31-17-5-2-11(22)8-14(17)25-18(28)10-26-16-6-7-32-19(16)20(29)27(21(26)30)15-4-3-12(23)9-13(15)24/h2-9H,10H2,1H3,(H,25,28)
InChIKeyDCTCVLXFLFCEBM-UHFFFAOYSA-N
MW477.88 g/mol
LogP3.79
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 22428113) has the molecular formula C21H14ClF2N3O4S and a molecular weight of 477.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID22428113
Molecular FormulaC21H14ClF2N3O4S
Molecular Weight477.88 g/mol
Exact Mass477.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21
InChIInChI=1S/C21H14ClF2N3O4S/c1-31-17-5-2-11(22)8-14(17)25-18(28)10-26-16-6-7-32-19(16)20(29)27(21(26)30)15-4-3-12(23)9-13(15)24/h2-9H,10H2,1H3,(H,25,28)
InChIKeyDCTCVLXFLFCEBM-UHFFFAOYSA-N
XLogP3.79
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-(3,5-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46924072
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922656
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46922635
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923932
N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922674
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22428088
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 5228473
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 39353861
N-(2,5-difluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486318
2-[3-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46922842
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486250
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 22428113) is N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is DCTCVLXFLFCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O4S/c1-31-17-5-2-11(22)8-14(17)25-18(28)10-26-16-6-7-32-19(16)20(29)27(21(26)30)15-4-3-12(23)9-13(15)24/h2-9H,10H2,1H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 477.88 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 22428113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).