2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide

C25H25N3O5S — CID 22428380

IUPAC2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C25H25N3O5S/c1-5-33-19-11-9-18(10-12-19)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)14-21(29)26-17-7-6-8-20(13-17)32-4/h6-13H,5,14H2,1-4H3,(H,26,29)
InChIKeyNKYXKELKEQZYNX-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.88
Rot. Bonds7

About 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 22428380) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID22428380
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C25H25N3O5S/c1-5-33-19-11-9-18(10-12-19)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)14-21(29)26-17-7-6-8-20(13-17)32-4/h6-13H,5,14H2,1-4H3,(H,26,29)
InChIKeyNKYXKELKEQZYNX-UHFFFAOYSA-N
XLogP3.88
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 22423501
1-(3,3-dimethyl-2-oxobutyl)-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 15989011
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 18829643
2-[3-(4-chlorophenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 15999904
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 22428388
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22428494
N-benzyl-2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-ethylacetamide
CID 15989009
1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 22428414
N-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 22429180
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
methyl 2-[[2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 22423520
N,N-diethyl-5-methyl-1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4226908

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 22428380) is 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide is CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NKYXKELKEQZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-5-33-19-11-9-18(10-12-19)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)14-21(29)26-17-7-6-8-20(13-17)32-4/h6-13H,5,14H2,1-4H3,(H,26,29).
What are the key properties of 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 479.56 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22428380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).