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

C22H18N2O2S — CID 7708377

IUPAC5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C22H18N2O2S/c1-2-15-8-10-16(11-9-15)18-13-27-21-20(18)22(26)24(14-23-21)12-19(25)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3
InChIKeyRNHXCBLQRPEYQT-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.57
Rot. Bonds5

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

5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one (PubChem CID 7708377) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
PubChem CID7708377
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C22H18N2O2S/c1-2-15-8-10-16(11-9-15)18-13-27-21-20(18)22(26)24(14-23-21)12-19(25)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3
InChIKeyRNHXCBLQRPEYQT-UHFFFAOYSA-N
XLogP4.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 20999101
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708384
3-benzyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 724930
5-(4-fluorophenyl)-3-[2-oxo-2-(4-propylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 7629294
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-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
6-[2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 23408712
N-(3,5-dichlorophenyl)-2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40874829
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 992632
3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 40913892
2-[[2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 2076409

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one (CID 7708377) is 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one is CCc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is RNHXCBLQRPEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-15-8-10-16(11-9-15)18-13-27-21-20(18)22(26)24(14-23-21)12-19(25)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one?
5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 374.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7708377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).