N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide

C25H28N2O6S — CID 10184579

IUPACN-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C25H28N2O6S/c1-18-14-19(22-4-2-3-5-23(22)26-18)16-33-20-6-8-21(9-7-20)34(30,31)17-25(15-24(28)27-29)10-12-32-13-11-25/h2-9,14,29H,10-13,15-17H2,1H3,(H,27,28)
InChIKeyKCWUMRBDUUZPAL-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.59
Rot. Bonds8

About N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide

N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide (PubChem CID 10184579) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide
PubChem CID10184579
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C25H28N2O6S/c1-18-14-19(22-4-2-3-5-23(22)26-18)16-33-20-6-8-21(9-7-20)34(30,31)17-25(15-24(28)27-29)10-12-32-13-11-25/h2-9,14,29H,10-13,15-17H2,1H3,(H,27,28)
InChIKeyKCWUMRBDUUZPAL-UHFFFAOYSA-N
XLogP3.59
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide (CID 10184579) is N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide is Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCOCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide?
The InChIKey is KCWUMRBDUUZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18-14-19(22-4-2-3-5-23(22)26-18)16-33-20-6-8-21(9-7-20)34(30,31)17-25(15-24(28)27-29)10-12-32-13-11-25/h2-9,14,29H,10-13,15-17H2,1H3,(H,27,28).
What are the key properties of N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide?
N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxan-4-yl]acetamide is sourced from PubChem (CID 10184579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).