About N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 58845150) has the molecular formula C24H28N6O5S2
and a molecular weight of 544.66 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide |
|---|
| PubChem CID | 58845150 |
|---|
| Molecular Formula | C24H28N6O5S2 |
|---|
| Molecular Weight | 544.66 g/mol |
|---|
| Exact Mass | 544.16 |
|---|
| IUPAC Name | N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide |
|---|
| SMILES | O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccsc4CN4CCOCC4)cc3)CC2)nc1 |
|---|
| InChI | InChI=1S/C24H28N6O5S2/c31-23(27-32)19-15-25-24(26-16-19)29-6-8-30(9-7-29)37(33,34)20-3-1-18(2-4-20)21-5-14-36-22(21)17-28-10-12-35-13-11-28/h1-5,14-16,32H,6-13,17H2,(H,27,31) |
|---|
| InChIKey | CAXFCMBLVDYXOQ-UHFFFAOYSA-N |
|---|
| XLogP | 1.67 |
|---|
| TPSA | 128.20 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 544.66 |
| LogP ≤ 5 | 1.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide 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 N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide (CID 58845150) is N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccsc4CN4CCOCC4)cc3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is CAXFCMBLVDYXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5S2/c31-23(27-32)19-15-25-24(26-16-19)29-6-8-30(9-7-29)37(33,34)20-3-1-18(2-4-20)21-5-14-36-22(21)17-28-10-12-35-13-11-28/h1-5,14-16,32H,6-13,17H2,(H,27,31).
What are the key properties of N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 544.66 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 58845150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).