N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C24H22ClN3O3S — CID 46923119

IUPACN-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccc(Cl)cc3)c2=O)cc1C
InChIInChI=1S/C24H22ClN3O3S/c1-15-3-4-18(11-16(15)2)13-28-23(30)22-20(9-10-32-22)27(24(28)31)14-21(29)26-12-17-5-7-19(25)8-6-17/h3-11H,12-14H2,1-2H3,(H,26,29)
InChIKeyZNPZCVPHLKATJI-UHFFFAOYSA-N
MW467.98 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 46923119) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID46923119
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccc(Cl)cc3)c2=O)cc1C
InChIInChI=1S/C24H22ClN3O3S/c1-15-3-4-18(11-16(15)2)13-28-23(30)22-20(9-10-32-22)27(24(28)31)14-21(29)26-12-17-5-7-19(25)8-6-17/h3-11H,12-14H2,1-2H3,(H,26,29)
InChIKeyZNPZCVPHLKATJI-UHFFFAOYSA-N
XLogP3.86
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923089
N-(2,4-dimethylphenyl)-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923093
2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 46923078
2-[2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 18592412
2-[3-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46922860
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 46923263
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46923188
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46922605
N-[(2-chlorophenyl)methyl]-2-[3-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923538
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922656
N-(4-bromophenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428207
2-[3-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-propylacetamide
CID 46923527

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 46923119) is N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccc(Cl)cc3)c2=O)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is ZNPZCVPHLKATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-15-3-4-18(11-16(15)2)13-28-23(30)22-20(9-10-32-22)27(24(28)31)14-21(29)26-12-17-5-7-19(25)8-6-17/h3-11H,12-14H2,1-2H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 467.98 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 46923119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).