N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide

C24H26N2O5S — CID 10226116

IUPACN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O5S/c1-17-13-18(21-5-2-3-6-22(21)25-17)15-31-19-7-9-20(10-8-19)32(29,30)16-24(11-4-12-24)14-23(27)26-28/h2-3,5-10,13,28H,4,11-12,14-16H2,1H3,(H,26,27)
InChIKeyMCBALNMZVCCHAP-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.96
Rot. Bonds8

About N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide

N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide (PubChem CID 10226116) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide
PubChem CID10226116
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O5S/c1-17-13-18(21-5-2-3-6-22(21)25-17)15-31-19-7-9-20(10-8-19)32(29,30)16-24(11-4-12-24)14-23(27)26-28/h2-3,5-10,13,28H,4,11-12,14-16H2,1H3,(H,26,27)
InChIKeyMCBALNMZVCCHAP-UHFFFAOYSA-N
XLogP3.96
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide?
The IUPAC name of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide (CID 10226116) is N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide?
The canonical SMILES for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide is Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide?
The InChIKey is MCBALNMZVCCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-13-18(21-5-2-3-6-22(21)25-17)15-31-19-7-9-20(10-8-19)32(29,30)16-24(11-4-12-24)14-23(27)26-28/h2-3,5-10,13,28H,4,11-12,14-16H2,1H3,(H,26,27).
What are the key properties of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide?
N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclobutyl]acetamide is sourced from PubChem (CID 10226116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).