1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide

C25H28N4O6S — CID 11663500

IUPAC1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1
InChIInChI=1S/C25H28N4O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)15-35-19-7-9-20(10-8-19)36(33,34)28-24-11-12-29(17(2)30)14-22(24)25(31)27-32/h3-10,13,22,24,28,32H,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyNPPPTMLOQIOPSM-UHFFFAOYSA-N
MW512.59 g/mol
LogP2.14
Rot. Bonds7

About 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide

1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide (PubChem CID 11663500) has the molecular formula C25H28N4O6S and a molecular weight of 512.59 g/mol. Its IUPAC name is 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
PubChem CID11663500
Molecular FormulaC25H28N4O6S
Molecular Weight512.59 g/mol
Exact Mass512.17
IUPAC Name1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1
InChIInChI=1S/C25H28N4O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)15-35-19-7-9-20(10-8-19)36(33,34)28-24-11-12-29(17(2)30)14-22(24)25(31)27-32/h3-10,13,22,24,28,32H,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyNPPPTMLOQIOPSM-UHFFFAOYSA-N
XLogP2.14
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide (CID 11663500) is 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide is CC(=O)N1CCC(NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1.
What is the InChIKey of 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
The InChIKey is NPPPTMLOQIOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6S/c1-16-13-18(21-5-3-4-6-23(21)26-16)15-35-19-7-9-20(10-8-19)36(33,34)28-24-11-12-29(17(2)30)14-22(24)25(31)27-32/h3-10,13,22,24,28,32H,11-12,14-15H2,1-2H3,(H,27,31).
What are the key properties of 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide is sourced from PubChem (CID 11663500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).