2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

C23H21N3O2S — CID 1193253

IUPAC2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-16-20(18-10-6-3-7-11-18)21-22(29-16)25-15-26(23(21)28)14-19(27)24-13-12-17-8-4-2-5-9-17/h2-11,15H,12-14H2,1H3,(H,24,27)
InChIKeySSVGCPJIIWMDAP-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.79
Rot. Bonds6

About 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 1193253) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID1193253
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-16-20(18-10-6-3-7-11-18)21-22(29-16)25-15-26(23(21)28)14-19(27)24-13-12-17-8-4-2-5-9-17/h2-11,15H,12-14H2,1H3,(H,24,27)
InChIKeySSVGCPJIIWMDAP-UHFFFAOYSA-N
XLogP3.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 40824148
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 7732059
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-prop-2-enylacetamide
CID 35792847
N-benzyl-2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824787
N-(4-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2792734
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 7456738
2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1194666
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
6-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 23408920
N-[[(2S)-butan-2-yl]carbamoyl]-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8635053
6-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456786
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide (CID 1193253) is 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide is Cc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is SSVGCPJIIWMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-20(18-10-6-3-7-11-18)21-22(29-16)25-15-26(23(21)28)14-19(27)24-13-12-17-8-4-2-5-9-17/h2-11,15H,12-14H2,1H3,(H,24,27).
What are the key properties of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1193253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).