N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide

C22H32N2O5S — CID 87345400

IUPACN-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
SMILESCCCCCC#CC(CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1)C(=O)NO
InChIInChI=1S/C22H32N2O5S/c1-3-4-5-6-7-8-20(22(25)23-26)17-30(27,28)24-15-13-19(14-16-24)18-9-11-21(29-2)12-10-18/h9-12,19-20,26H,3-6,13-17H2,1-2H3,(H,23,25)
InChIKeyFZFMMKSRGPTBOE-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.91
Rot. Bonds9

About N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide

N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide (PubChem CID 87345400) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
PubChem CID87345400
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC NameN-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
SMILESCCCCCC#CC(CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1)C(=O)NO
InChIInChI=1S/C22H32N2O5S/c1-3-4-5-6-7-8-20(22(25)23-26)17-30(27,28)24-15-13-19(14-16-24)18-9-11-21(29-2)12-10-18/h9-12,19-20,26H,3-6,13-17H2,1-2H3,(H,23,25)
InChIKeyFZFMMKSRGPTBOE-UHFFFAOYSA-N
XLogP2.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
The IUPAC name of N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide (CID 87345400) is N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide.
What is the SMILES notation for N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
The canonical SMILES for N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide is CCCCCC#CC(CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
The InChIKey is FZFMMKSRGPTBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-3-4-5-6-7-8-20(22(25)23-26)17-30(27,28)24-15-13-19(14-16-24)18-9-11-21(29-2)12-10-18/h9-12,19-20,26H,3-6,13-17H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide has a molecular weight of 436.57 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide is sourced from PubChem (CID 87345400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).