N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C23H19N3O4S — CID 41037329

IUPACN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESC[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O4S/c1-14(16-7-8-18-19(9-16)30-13-29-18)25-21(27)11-26-12-24-22-17(23(26)28)10-20(31-22)15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyLXWTZHSOIVQTKN-AWEZNQCLSA-N
MW433.49 g/mol
LogP3.73
Rot. Bonds5

About N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 41037329) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID41037329
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESC[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O4S/c1-14(16-7-8-18-19(9-16)30-13-29-18)25-21(27)11-26-12-24-22-17(23(26)28)10-20(31-22)15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyLXWTZHSOIVQTKN-AWEZNQCLSA-N
XLogP3.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-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-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-(1,2-oxazol-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17424882
N-[(2-fluorophenyl)methyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9456009
N-[1-(3-chlorophenyl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18203142
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51196146
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
N-(4-methylsulfanylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24565191
6-amino-1,3-dimethyl-5-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584592
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128319
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6864180

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 41037329) is N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is C[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is LXWTZHSOIVQTKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-14(16-7-8-18-19(9-16)30-13-29-18)25-21(27)11-26-12-24-22-17(23(26)28)10-20(31-22)15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 433.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 41037329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).