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

C26H19N3O3S — CID 30760368

IUPAC2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H19N3O3S/c30-23(28-21-13-7-8-14-22(21)32-19-11-5-2-6-12-19)15-29-17-27-25-24(26(29)31)20(16-33-25)18-9-3-1-4-10-18/h1-14,16-17H,15H2,(H,28,30)
InChIKeyDPBVZAIIUWAPRN-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.56
Rot. Bonds6

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

2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 30760368) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID30760368
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC Name2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H19N3O3S/c30-23(28-21-13-7-8-14-22(21)32-19-11-5-2-6-12-19)15-29-17-27-25-24(26(29)31)20(16-33-25)18-9-3-1-4-10-18/h1-14,16-17H,15H2,(H,28,30)
InChIKeyDPBVZAIIUWAPRN-UHFFFAOYSA-N
XLogP5.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 1078323
N-(2-methoxyphenyl)-2-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40865526
N-(2-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913818
N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7697053
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 24584696
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-naphthalen-1-ylacetamide
CID 992980
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28527645
N-[2-(difluoromethylsulfanyl)phenyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 24592677
propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 40883547

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide (CID 30760368) is 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide is O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is DPBVZAIIUWAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S/c30-23(28-21-13-7-8-14-22(21)32-19-11-5-2-6-12-19)15-29-17-27-25-24(26(29)31)20(16-33-25)18-9-3-1-4-10-18/h1-14,16-17H,15H2,(H,28,30).
What are the key properties of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide?
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 453.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 30760368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).