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

C24H27N3O5S — CID 18002771

IUPACN-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3CNCCC3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-12-17(21-4-2-3-5-23(21)26-16)14-32-19-6-8-20(9-7-19)33(30,31)15-18-13-25-11-10-22(18)24(28)27-29/h2-9,12,18,22,25,29H,10-11,13-15H2,1H3,(H,27,28)
InChIKeyYCBSBKZAEBKTSY-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.63
Rot. Bonds7

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

N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide (PubChem CID 18002771) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide
PubChem CID18002771
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3CNCCC3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O5S/c1-16-12-17(21-4-2-3-5-23(21)26-16)14-32-19-6-8-20(9-7-19)33(30,31)15-18-13-25-11-10-22(18)24(28)27-29/h2-9,12,18,22,25,29H,10-11,13-15H2,1H3,(H,27,28)
InChIKeyYCBSBKZAEBKTSY-UHFFFAOYSA-N
XLogP2.63
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.63
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 N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide (CID 18002771) is N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)CC3CNCCC3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide?
The InChIKey is YCBSBKZAEBKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-12-17(21-4-2-3-5-23(21)26-16)14-32-19-6-8-20(9-7-19)33(30,31)15-18-13-25-11-10-22(18)24(28)27-29/h2-9,12,18,22,25,29H,10-11,13-15H2,1H3,(H,27,28).
What are the key properties of N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide?
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 18002771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).