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

C26H30N2O5S — CID 10140776

IUPACN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H30N2O5S/c1-19-15-20(23-7-3-4-8-24(23)27-19)17-33-21-9-11-22(12-10-21)34(31,32)18-26(16-25(29)28-30)13-5-2-6-14-26/h3-4,7-12,15,30H,2,5-6,13-14,16-18H2,1H3,(H,28,29)
InChIKeyUXWAVVXCMUJGHD-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.74
Rot. Bonds8

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

N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide (PubChem CID 10140776) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide
PubChem CID10140776
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC NameN-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H30N2O5S/c1-19-15-20(23-7-3-4-8-24(23)27-19)17-33-21-9-11-22(12-10-21)34(31,32)18-26(16-25(29)28-30)13-5-2-6-14-26/h3-4,7-12,15,30H,2,5-6,13-14,16-18H2,1H3,(H,28,29)
InChIKeyUXWAVVXCMUJGHD-UHFFFAOYSA-N
XLogP4.74
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.74
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]cyclohexyl]acetamide?
The IUPAC name of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide (CID 10140776) is N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide?
The canonical SMILES for N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide is Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide?
The InChIKey is UXWAVVXCMUJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19-15-20(23-7-3-4-8-24(23)27-19)17-33-21-9-11-22(12-10-21)34(31,32)18-26(16-25(29)28-30)13-5-2-6-14-26/h3-4,7-12,15,30H,2,5-6,13-14,16-18H2,1H3,(H,28,29).
What are the key properties of N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide?
N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]cyclohexyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.74, 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]cyclohexyl]acetamide is sourced from PubChem (CID 10140776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).