(3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide

C24H26N4O6S — CID 11855331

IUPAC(3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCN(C=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-10-11-28(15-29)13-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21-,23+/m0/s1
InChIKeyFFQYFZDMTKFPDM-JTHBVZDNSA-N
MW498.56 g/mol
LogP1.75
Rot. Bonds8

About (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide

(3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide (PubChem CID 11855331) has the molecular formula C24H26N4O6S and a molecular weight of 498.56 g/mol. Its IUPAC name is (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
PubChem CID11855331
Molecular FormulaC24H26N4O6S
Molecular Weight498.56 g/mol
Exact Mass498.16
IUPAC Name(3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCN(C=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-10-11-28(15-29)13-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21-,23+/m0/s1
InChIKeyFFQYFZDMTKFPDM-JTHBVZDNSA-N
XLogP1.75
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
The IUPAC name of (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide (CID 11855331) is (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
The canonical SMILES for (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCN(C=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
The InChIKey is FFQYFZDMTKFPDM-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H26N4O6S/c1-16-12-17(20-4-2-3-5-22(20)25-16)14-34-18-6-8-19(9-7-18)35(32,33)27-23-10-11-28(15-29)13-21(23)24(30)26-31/h2-9,12,15,21,23,27,31H,10-11,13-14H2,1H3,(H,26,30)/t21-,23+/m0/s1.
What are the key properties of (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide?
(3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-formyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide is sourced from PubChem (CID 11855331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).