2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide

C22H19N3O3S — CID 39334843

IUPAC2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide
SMILESCc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2s1
InChIInChI=1S/C22H19N3O3S/c1-15-12-18-20(27)24(13-16-8-4-2-5-9-16)22(28)25(21(18)29-15)14-19(26)23-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyOPKCPUQBWZBUOP-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide

2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide (PubChem CID 39334843) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide
PubChem CID39334843
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide
SMILESCc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2s1
InChIInChI=1S/C22H19N3O3S/c1-15-12-18-20(27)24(13-16-8-4-2-5-9-16)22(28)25(21(18)29-15)14-19(26)23-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyOPKCPUQBWZBUOP-UHFFFAOYSA-N
XLogP3.22
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dibenzyl-6-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39334592
3-benzyl-N,N,5-trimethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5075005
2-(3-benzyl-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 12004818
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594
2-[3-benzyl-5-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-phenylacetamide
CID 39337235
2-(3-benzyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22423491
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide
CID 30922930
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 18559848

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide (CID 39334843) is 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide is Cc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2s1.
What is the InChIKey of 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide?
The InChIKey is OPKCPUQBWZBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-12-18-20(27)24(13-16-8-4-2-5-9-16)22(28)25(21(18)29-15)14-19(26)23-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide?
2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide has a molecular weight of 405.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 39334843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).