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

C22H32N2O4S — CID 142781546

IUPAC2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
SMILESCCCCCC#CC(O)(CS(=O)(=O)N1CCC(c2ccc(C)cc2)CC1)C(N)=O
InChIInChI=1S/C22H32N2O4S/c1-3-4-5-6-7-14-22(26,21(23)25)17-29(27,28)24-15-12-20(13-16-24)19-10-8-18(2)9-11-19/h8-11,20,26H,3-6,12-13,15-17H2,1-2H3,(H2,23,25)
InChIKeyLUAMGRYNTKMLPQ-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.30
Rot. Bonds8

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

2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide (PubChem CID 142781546) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide.

Molecular Properties

Compound Name2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
PubChem CID142781546
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC Name2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
SMILESCCCCCC#CC(O)(CS(=O)(=O)N1CCC(c2ccc(C)cc2)CC1)C(N)=O
InChIInChI=1S/C22H32N2O4S/c1-3-4-5-6-7-14-22(26,21(23)25)17-29(27,28)24-15-12-20(13-16-24)19-10-8-18(2)9-11-19/h8-11,20,26H,3-6,12-13,15-17H2,1-2H3,(H2,23,25)
InChIKeyLUAMGRYNTKMLPQ-UHFFFAOYSA-N
XLogP2.30
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
CID 174532790
N-hydroxy-2-[[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide
CID 87345400
N-[1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonylnon-3-yn-2-yl]-N-hydroxyformamide
CID 11647535
4-(1-ethylsulfonylpiperidin-4-yl)phenol
CID 54861048
1-[1-(4-methylphenyl)sulfonylazetidin-2-yl]non-2-yn-1-one
CID 122373239
1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine
CID 118297009
[2-(4-methylanilino)-2-oxoethyl] 1-butylsulfonylpiperidine-4-carboxylate
CID 55785196
N-[(2S)-3-methylbutan-2-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100568345
1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
CID 23607807
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
The IUPAC name of 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide (CID 142781546) is 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide.
What is the SMILES notation for 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
The canonical SMILES for 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide is CCCCCC#CC(O)(CS(=O)(=O)N1CCC(c2ccc(C)cc2)CC1)C(N)=O.
What is the InChIKey of 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
The InChIKey is LUAMGRYNTKMLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-3-4-5-6-7-14-22(26,21(23)25)17-29(27,28)24-15-12-20(13-16-24)19-10-8-18(2)9-11-19/h8-11,20,26H,3-6,12-13,15-17H2,1-2H3,(H2,23,25).
What are the key properties of 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide?
2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide has a molecular weight of 420.58 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[[4-(4-methylphenyl)piperidin-1-yl]sulfonylmethyl]non-3-ynamide is sourced from PubChem (CID 142781546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).