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

C22H19N3O2S — CID 1193249

IUPAC2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-20(23-12-11-16-7-3-1-4-8-16)14-25-15-24-21-18(22(25)27)13-19(28-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,23,26)
InChIKeyDVUHJBAEFXGUCX-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.48
Rot. Bonds6

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

2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 1193249) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID1193249
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-20(23-12-11-16-7-3-1-4-8-16)14-25-15-24-21-18(22(25)27)13-19(28-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,23,26)
InChIKeyDVUHJBAEFXGUCX-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9456009
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 725323
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193253
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-(1,2-oxazol-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17424882
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
N-(4-methylsulfanylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24565191
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 8644357
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 1412322
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6864180

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide (CID 1193249) is 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is DVUHJBAEFXGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(23-12-11-16-7-3-1-4-8-16)14-25-15-24-21-18(22(25)27)13-19(28-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,23,26).
What are the key properties of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1193249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).