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

C27H29N3O4S — CID 22423501

IUPAC2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1
InChIInChI=1S/C27H29N3O4S/c1-6-34-22-13-11-21(12-14-22)30-25(32)24-17(4)18(5)35-26(24)29(27(30)33)15-23(31)28-20-9-7-19(8-10-20)16(2)3/h7-14,16H,6,15H2,1-5H3,(H,28,31)
InChIKeyGHCFRNUUOUVCCD-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.99
Rot. Bonds7

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

2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 22423501) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID22423501
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Name2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1
InChIInChI=1S/C27H29N3O4S/c1-6-34-22-13-11-21(12-14-22)30-25(32)24-17(4)18(5)35-26(24)29(27(30)33)15-23(31)28-20-9-7-19(8-10-20)16(2)3/h7-14,16H,6,15H2,1-5H3,(H,28,31)
InChIKeyGHCFRNUUOUVCCD-UHFFFAOYSA-N
XLogP4.99
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 22428380
1-(3,3-dimethyl-2-oxobutyl)-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 15989011
N-benzyl-2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-ethylacetamide
CID 15989009
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22428494
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-[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 22428456
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 17147912
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
2-[11-acetyl-4-(3-chlorophenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-(4-ethoxyphenyl)acetamide
CID 46506614
2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993894
methyl 2-[[2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 22423520

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-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 22423501) is 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3ccc(C(C)C)cc3)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-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GHCFRNUUOUVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-6-34-22-13-11-21(12-14-22)30-25(32)24-17(4)18(5)35-26(24)29(27(30)33)15-23(31)28-20-9-7-19(8-10-20)16(2)3/h7-14,16H,6,15H2,1-5H3,(H,28,31).
What are the key properties of 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 491.61 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22423501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).