2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide

C24H18ClN5O4S — CID 50743401

IUPAC2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5Cl)no4)c(C)c3c2=O)c1
InChIInChI=1S/C24H18ClN5O4S/c1-13-19-23(35-20(13)22-28-21(29-34-22)16-8-3-4-9-17(16)25)26-12-30(24(19)32)11-18(31)27-14-6-5-7-15(10-14)33-2/h3-10,12H,11H2,1-2H3,(H,27,31)
InChIKeyFQPGEEHMKINQLF-UHFFFAOYSA-N
MW507.96 g/mol
LogP4.78
Rot. Bonds6

About 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide

2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 50743401) has the molecular formula C24H18ClN5O4S and a molecular weight of 507.96 g/mol. Its IUPAC name is 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID50743401
Molecular FormulaC24H18ClN5O4S
Molecular Weight507.96 g/mol
Exact Mass507.08
IUPAC Name2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5Cl)no4)c(C)c3c2=O)c1
InChIInChI=1S/C24H18ClN5O4S/c1-13-19-23(35-20(13)22-28-21(29-34-22)16-8-3-4-9-17(16)25)26-12-30(24(19)32)11-18(31)27-14-6-5-7-15(10-14)33-2/h3-10,12H,11H2,1-2H3,(H,27,31)
InChIKeyFQPGEEHMKINQLF-UHFFFAOYSA-N
XLogP4.78
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.96
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 50786804
N-(3-chlorophenyl)-2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786178
N-(3-chlorophenyl)-2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786750
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
N-(4-methoxyphenyl)-2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786791
N-(2-chlorophenyl)-2-[5-methyl-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786540
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
6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-[(3,5-difluorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 53332028
N-(5-chloro-2-methylphenyl)-2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786475
N-butan-2-yl-2-[5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786654
N-(2,6-dimethylphenyl)-2-[5-methyl-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786723
2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylphenyl)acetamide
CID 50786744

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide (CID 50743401) is 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5Cl)no4)c(C)c3c2=O)c1.
What is the InChIKey of 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FQPGEEHMKINQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O4S/c1-13-19-23(35-20(13)22-28-21(29-34-22)16-8-3-4-9-17(16)25)26-12-30(24(19)32)11-18(31)27-14-6-5-7-15(10-14)33-2/h3-10,12H,11H2,1-2H3,(H,27,31).
What are the key properties of 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide?
2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 507.96 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 50743401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).