2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C19H13F2N3O4S — CID 22428088

IUPAC2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)NCc1ccco1
InChIInChI=1S/C19H13F2N3O4S/c20-11-3-4-14(13(21)8-11)24-18(26)17-15(5-7-29-17)23(19(24)27)10-16(25)22-9-12-2-1-6-28-12/h1-8H,9-10H2,(H,22,25)
InChIKeySADJUHAUOJOAHK-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.40
Rot. Bonds5

About 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 22428088) has the molecular formula C19H13F2N3O4S and a molecular weight of 417.39 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID22428088
Molecular FormulaC19H13F2N3O4S
Molecular Weight417.39 g/mol
Exact Mass417.06
IUPAC Name2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)NCc1ccco1
InChIInChI=1S/C19H13F2N3O4S/c20-11-3-4-14(13(21)8-11)24-18(26)17-15(5-7-29-17)23(19(24)27)10-16(25)22-9-12-2-1-6-28-12/h1-8H,9-10H2,(H,22,25)
InChIKeySADJUHAUOJOAHK-UHFFFAOYSA-N
XLogP2.40
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428228
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103
2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 6619277
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 5228473
2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 50926569
N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428113
3-[1-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2134887
N-(furan-2-ylmethyl)-2-[4-[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428267
N-(furan-2-ylmethyl)-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]propanamide
CID 46246486
3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22427932
1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331598
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 22428088) is 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)NCc1ccco1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SADJUHAUOJOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O4S/c20-11-3-4-14(13(21)8-11)24-18(26)17-15(5-7-29-17)23(19(24)27)10-16(25)22-9-12-2-1-6-28-12/h1-8H,9-10H2,(H,22,25).
What are the key properties of 2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 417.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 22428088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).