2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

C24H20ClN3O3S — CID 41040835

IUPAC2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C24H20ClN3O3S/c1-15(29)20(11-16-5-3-2-4-6-16)27-21(30)12-28-14-26-23-22(24(28)31)19(13-32-23)17-7-9-18(25)10-8-17/h2-10,13-14,20H,11-12H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyFPGPVAMRYAWNDV-HXUWFJFHSA-N
MW465.96 g/mol
LogP4.09
Rot. Bonds7

About 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 41040835) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID41040835
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC Name2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C24H20ClN3O3S/c1-15(29)20(11-16-5-3-2-4-6-16)27-21(30)12-28-14-26-23-22(24(28)31)19(13-32-23)17-7-9-18(25)10-8-17/h2-10,13-14,20H,11-12H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyFPGPVAMRYAWNDV-HXUWFJFHSA-N
XLogP4.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8573262
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4809075
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
3-[[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid
CID 7729554
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8573283
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2,4-dichlorophenyl)acetamide
CID 40883304
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 1078323
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1189430
N-(3,5-dichlorophenyl)-2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40874829
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 41040835) is 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is FPGPVAMRYAWNDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c1-15(29)20(11-16-5-3-2-4-6-16)27-21(30)12-28-14-26-23-22(24(28)31)19(13-32-23)17-7-9-18(25)10-8-17/h2-10,13-14,20H,11-12H2,1H3,(H,27,30)/t20-/m1/s1.
What are the key properties of 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 465.96 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 41040835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).