2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

C24H23N3O4S — CID 15999929

IUPAC2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-31-19-10-8-18(9-11-19)27-23(29)22-20(13-15-32-22)26(24(27)30)16-21(28)25-14-12-17-6-4-3-5-7-17/h3-11,13,15H,2,12,14,16H2,1H3,(H,25,28)
InChIKeyVLZZVSMDEBJWET-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.97
Rot. Bonds8

About 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 15999929) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID15999929
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-31-19-10-8-18(9-11-19)27-23(29)22-20(13-15-32-22)26(24(27)30)16-21(28)25-14-12-17-6-4-3-5-7-17/h3-11,13,15H,2,12,14,16H2,1H3,(H,25,28)
InChIKeyVLZZVSMDEBJWET-UHFFFAOYSA-N
XLogP2.97
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetate
CID 22427960
N-cyclohexyl-2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 15992630
2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 6486464
2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 6619256
2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 16807279
benzyl 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetate
CID 22423569
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6619388
2-[3-(3-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 6486363
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
CID 46923905
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 16801024
N-(2,5-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923940
N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428217

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide (CID 15999929) is 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide is CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VLZZVSMDEBJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-2-31-19-10-8-18(9-11-19)27-23(29)22-20(13-15-32-22)26(24(27)30)16-21(28)25-14-12-17-6-4-3-5-7-17/h3-11,13,15H,2,12,14,16H2,1H3,(H,25,28).
What are the key properties of 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 15999929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).