5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one

C22H18N2O3S — CID 7708384

IUPAC5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C22H18N2O3S/c1-2-27-17-10-8-15(9-11-17)18-13-28-21-20(18)22(26)24(14-23-21)12-19(25)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3
InChIKeyXGYMGZLQDDWCMQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.41
Rot. Bonds6

About 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one

5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one (PubChem CID 7708384) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
PubChem CID7708384
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C22H18N2O3S/c1-2-27-17-10-8-15(9-11-17)18-13-28-21-20(18)22(26)24(14-23-21)12-19(25)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3
InChIKeyXGYMGZLQDDWCMQ-UHFFFAOYSA-N
XLogP4.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708377
cyclopentyl 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 1404961
(4-methylcyclohexyl) 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 1404934
ethyl 3-[[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate
CID 40842415
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
3-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 20999101
2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 40913605
(2R)-2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 724890
5-(4-fluorophenyl)-3-[2-oxo-2-(4-propylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 7629294
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 23408966
2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylpropanamide
CID 4070073

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one (CID 7708384) is 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one is CCOc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is XGYMGZLQDDWCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-2-27-17-10-8-15(9-11-17)18-13-28-21-20(18)22(26)24(14-23-21)12-19(25)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 390.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7708384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).