2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide

C26H33N5O5S — CID 75304025

IUPAC2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
SMILESCc1cc(COc2ccc(S(=O)(=O)NCC(C(=O)NO)N3CCCCNCC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H33N5O5S/c1-19-16-20(23-6-2-3-7-24(23)29-19)18-36-21-8-10-22(11-9-21)37(34,35)28-17-25(26(32)30-33)31-14-5-4-12-27-13-15-31/h2-3,6-11,16,25,27-28,33H,4-5,12-15,17-18H2,1H3,(H,30,32)
InChIKeyJMFCTEOYDFSFFU-UHFFFAOYSA-N
MW527.65 g/mol
LogP1.96
Rot. Bonds9

About 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide

2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide (PubChem CID 75304025) has the molecular formula C26H33N5O5S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
PubChem CID75304025
Molecular FormulaC26H33N5O5S
Molecular Weight527.65 g/mol
Exact Mass527.22
IUPAC Name2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
SMILESCc1cc(COc2ccc(S(=O)(=O)NCC(C(=O)NO)N3CCCCNCC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H33N5O5S/c1-19-16-20(23-6-2-3-7-24(23)29-19)18-36-21-8-10-22(11-9-21)37(34,35)28-17-25(26(32)30-33)31-14-5-4-12-27-13-15-31/h2-3,6-11,16,25,27-28,33H,4-5,12-15,17-18H2,1H3,(H,30,32)
InChIKeyJMFCTEOYDFSFFU-UHFFFAOYSA-N
XLogP1.96
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.65
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 75306134
2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75303849
(2S)-N-methyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-(4-methylsulfonylpiperidin-1-yl)propanamide
CID 141285005
(2S)-2-(4-benzylpiperazin-1-yl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanoic acid
CID 66870901
N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
CID 75306296
benzyl 4-[(2S)-1-methoxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 71115316
methyl (2S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-(4-prop-1-en-2-ylsulfonylpiperazin-1-yl)propanoate
CID 86715688
N-hydroxy-3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
CID 75306105
N-[(2S)-3-(hydroxyamino)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 51030462
4-[(2S)-1-(hydroxyamino)-1-oxo-3-(sulfonylamino)propan-2-yl]piperazine-1-carboxylic acid;2-methyl-4-(phenoxymethyl)quinoline
CID 87185278
2-[(2R)-3-(hydroxyamino)-2-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140587277

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide?
The IUPAC name of 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide (CID 75304025) is 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide?
The canonical SMILES for 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide is Cc1cc(COc2ccc(S(=O)(=O)NCC(C(=O)NO)N3CCCCNCC3)cc2)c2ccccc2n1.
What is the InChIKey of 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide?
The InChIKey is JMFCTEOYDFSFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S/c1-19-16-20(23-6-2-3-7-24(23)29-19)18-36-21-8-10-22(11-9-21)37(34,35)28-17-25(26(32)30-33)31-14-5-4-12-27-13-15-31/h2-3,6-11,16,25,27-28,33H,4-5,12-15,17-18H2,1H3,(H,30,32).
What are the key properties of 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide?
2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide has a molecular weight of 527.65 g/mol, XLogP of 1.96, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 75304025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).