propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate

C24H21N3O4S — CID 40883547

IUPACpropyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1
InChIInChI=1S/C24H21N3O4S/c1-2-12-31-24(30)17-8-10-18(11-9-17)26-20(28)13-27-15-25-22-21(23(27)29)19(14-32-22)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,26,28)
InChIKeyWQTSSKYDOMLFJL-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.33
Rot. Bonds7

About propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate

propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate (PubChem CID 40883547) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
PubChem CID40883547
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Namepropyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1
InChIInChI=1S/C24H21N3O4S/c1-2-12-31-24(30)17-8-10-18(11-9-17)26-20(28)13-27-15-25-22-21(23(27)29)19(14-32-22)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,26,28)
InChIKeyWQTSSKYDOMLFJL-UHFFFAOYSA-N
XLogP4.33
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[[2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 44640327
methyl 4-[[2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883642
propyl 3-[[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883803
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 46559572
propyl 3-[[2-[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883792
ethyl 3-[[2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883744
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
propan-2-yl 4-[[2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883584
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 992632
methyl 4-[[2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 40883640
benzyl 5-methyl-4-oxo-3-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 40883516
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 propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate (CID 40883547) is propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1.
What is the InChIKey of propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The InChIKey is WQTSSKYDOMLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-2-12-31-24(30)17-8-10-18(11-9-17)26-20(28)13-27-15-25-22-21(23(27)29)19(14-32-22)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,26,28).
What are the key properties of propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate has a molecular weight of 447.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 40883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).