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

C23H21N3O2S — CID 23409185

IUPACN-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(C)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C23H21N3O2S/c1-3-16-9-7-8-12-19(16)25-21(27)14-26-15(2)24-22-18(23(26)28)13-20(29-22)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyVHFBPMKZLKMYNC-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.63
Rot. Bonds5

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

N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 23409185) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID23409185
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(C)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C23H21N3O2S/c1-3-16-9-7-8-12-19(16)25-21(27)14-26-15(2)24-22-18(23(26)28)13-20(29-22)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyVHFBPMKZLKMYNC-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409130
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410069
N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 1426270
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409533
N-(4-butylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409221
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 23410675
methyl 4-[[2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 23410019
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23411358
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 23411280
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 23410667

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 23409185) is N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1ccccc1NC(=O)Cn1c(C)nc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is VHFBPMKZLKMYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-3-16-9-7-8-12-19(16)25-21(27)14-26-15(2)24-22-18(23(26)28)13-20(29-22)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 23409185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).