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

C23H19N3O3S — CID 55380138

IUPACN-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1
InChIInChI=1S/C23H19N3O3S/c1-14-20-22(30-21(14)17-6-4-3-5-7-17)24-13-26(23(20)29)12-19(28)16-8-10-18(11-9-16)25-15(2)27/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKeyGMYGDUWJXADKAT-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.27
Rot. Bonds5

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

N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide (PubChem CID 55380138) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
PubChem CID55380138
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1
InChIInChI=1S/C23H19N3O3S/c1-14-20-22(30-21(14)17-6-4-3-5-7-17)24-13-26(23(20)29)12-19(28)16-8-10-18(11-9-16)25-15(2)27/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKeyGMYGDUWJXADKAT-UHFFFAOYSA-N
XLogP4.27
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27540162
5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 32925031
3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20999347
N-(4-methoxyphenyl)-4-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzamide
CID 24558348
N-(2,5-dimethylpyrazol-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51288176
2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 50786497
2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 50786153
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 24500038
6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584961
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 27540196
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 17398834

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide (CID 55380138) is N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1.
What is the InChIKey of N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The InChIKey is GMYGDUWJXADKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-14-20-22(30-21(14)17-6-4-3-5-7-17)24-13-26(23(20)29)12-19(28)16-8-10-18(11-9-16)25-15(2)27/h3-11,13H,12H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 55380138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).