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

C25H28N2O5S — CID 10276821

IUPACN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1
InChIInChI=1S/C25H28N2O5S/c1-18-14-19(22-6-2-3-7-23(22)26-18)16-32-20-8-10-21(11-9-20)33(30,31)17-25(12-4-5-13-25)15-24(28)27-29/h2-3,6-11,14,29H,4-5,12-13,15-17H2,1H3,(H,27,28)
InChIKeyKVMYRTIGLLQRFY-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.35
Rot. Bonds8

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

N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide (PubChem CID 10276821) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide
PubChem CID10276821
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1
InChIInChI=1S/C25H28N2O5S/c1-18-14-19(22-6-2-3-7-23(22)26-18)16-32-20-8-10-21(11-9-20)33(30,31)17-25(12-4-5-13-25)15-24(28)27-29/h2-3,6-11,14,29H,4-5,12-13,15-17H2,1H3,(H,27,28)
InChIKeyKVMYRTIGLLQRFY-UHFFFAOYSA-N
XLogP4.35
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.35
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]cyclopentyl]acetamide?
The IUPAC name of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide (CID 10276821) is N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide?
The canonical SMILES for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide is Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide?
The InChIKey is KVMYRTIGLLQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18-14-19(22-6-2-3-7-23(22)26-18)16-32-20-8-10-21(11-9-20)33(30,31)17-25(12-4-5-13-25)15-24(28)27-29/h2-3,6-11,14,29H,4-5,12-13,15-17H2,1H3,(H,27,28).
What are the key properties of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide?
N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclopentyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.35, 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]cyclopentyl]acetamide is sourced from PubChem (CID 10276821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).