About (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
(2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 148860040) has the molecular formula C24H25N5O5S2
and a molecular weight of 527.63 g/mol. Its IUPAC name is (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
Molecular Properties
| Compound Name | (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide |
|---|
| PubChem CID | 148860040 |
|---|
| Molecular Formula | C24H25N5O5S2 |
|---|
| Molecular Weight | 527.63 g/mol |
|---|
| Exact Mass | 527.13 |
|---|
| IUPAC Name | (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide |
|---|
| SMILES | CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4sccc4C)c3)cc2c1=O |
|---|
| InChI | InChI=1S/C24H25N5O5S2/c1-14-7-8-35-24(14)36(32,33)28-20-10-17(11-26-22(20)34-4)16-5-6-19-18(9-16)23(31)29(13-27-19)12-15(2)21(30)25-3/h5-11,13,15,28H,12H2,1-4H3,(H,25,30)/t15-/m1/s1 |
|---|
| InChIKey | OZDHTNMRYKMTFY-OAHLLOKOSA-N |
|---|
| XLogP | 3.02 |
|---|
| TPSA | 132.28 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 527.63 |
| LogP ≤ 5 | 3.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 148860040) is (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4sccc4C)c3)cc2c1=O.
What is the InChIKey of (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is OZDHTNMRYKMTFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N5O5S2/c1-14-7-8-35-24(14)36(32,33)28-20-10-17(11-26-22(20)34-4)16-5-6-19-18(9-16)23(31)29(13-27-19)12-15(2)21(30)25-3/h5-11,13,15,28H,12H2,1-4H3,(H,25,30)/t15-/m1/s1.
What are the key properties of (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
(2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 527.63 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[6-methoxy-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 148860040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).