N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C24H20ClN3O3S — CID 23409438

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2nc(C)n(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C24H20ClN3O3S/c1-13-14(2)32-23-21(13)24(31)28(15(3)26-23)12-20(29)27-19-10-9-17(25)11-18(19)22(30)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyPPCJIKWAXYLULG-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.91
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 23409438) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID23409438
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2nc(C)n(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C24H20ClN3O3S/c1-13-14(2)32-23-21(13)24(31)28(15(3)26-23)12-20(29)27-19-10-9-17(25)11-18(19)22(30)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,27,29)
InChIKeyPPCJIKWAXYLULG-UHFFFAOYSA-N
XLogP4.91
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159273
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147
3-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409415
2-methoxyethyl 3-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 23409416
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28528656
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(4-tert-butylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410121
N-(3-nitrophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410167
N-(4-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159271
N-(2-methyl-6-propan-2-ylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410218
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide
CID 154805279

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 23409438) is N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1sc2nc(C)n(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)c2c1C.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is PPCJIKWAXYLULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c1-13-14(2)32-23-21(13)24(31)28(15(3)26-23)12-20(29)27-19-10-9-17(25)11-18(19)22(30)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,27,29).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 465.96 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 23409438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).