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

C28H23N3O3S — CID 22428363

IUPAC2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide
SMILESCc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)Nc3ccccc3)cc2)c(=O)c2sccc21
InChIInChI=1S/C28H23N3O3S/c1-19-7-5-6-8-21(19)18-30-24-15-16-35-26(24)27(33)31(28(30)34)23-13-11-20(12-14-23)17-25(32)29-22-9-3-2-4-10-22/h2-16H,17-18H2,1H3,(H,29,32)
InChIKeyNGRPFQHNNYDOQU-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.75
Rot. Bonds6

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

2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide (PubChem CID 22428363) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide
PubChem CID22428363
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC Name2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide
SMILESCc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)Nc3ccccc3)cc2)c(=O)c2sccc21
InChIInChI=1S/C28H23N3O3S/c1-19-7-5-6-8-21(19)18-30-24-15-16-35-26(24)27(33)31(28(30)34)23-13-11-20(12-14-23)17-25(32)29-22-9-3-2-4-10-22/h2-16H,17-18H2,1H3,(H,29,32)
InChIKeyNGRPFQHNNYDOQU-UHFFFAOYSA-N
XLogP4.75
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428354
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762645
3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331601
N-(2,3-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923955
1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331622
2-[[3-(4-methylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]methyl]benzonitrile
CID 46246394
3-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331514
N-(2,5-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923940
2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 6619277
N-(furan-2-ylmethyl)-2-[4-[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428267
N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762632
N-(4-butylphenyl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926605

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide (CID 22428363) is 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide is Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)Nc3ccccc3)cc2)c(=O)c2sccc21.
What is the InChIKey of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide?
The InChIKey is NGRPFQHNNYDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-19-7-5-6-8-21(19)18-30-24-15-16-35-26(24)27(33)31(28(30)34)23-13-11-20(12-14-23)17-25(32)29-22-9-3-2-4-10-22/h2-16H,17-18H2,1H3,(H,29,32).
What are the key properties of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide?
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide has a molecular weight of 481.58 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide is sourced from PubChem (CID 22428363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).