2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide

C18H28N2O5S — CID 139746806

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1ccc(S(=O)(=O)C2(CC(=O)NOC(C)(C)C)CCNCC2)cc1
InChIInChI=1S/C18H28N2O5S/c1-17(2,3)25-20-16(21)13-18(9-11-19-12-10-18)26(22,23)15-7-5-14(24-4)6-8-15/h5-8,19H,9-13H2,1-4H3,(H,20,21)
InChIKeyJGYROOXUEZLUIR-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide

2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 139746806) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID139746806
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1ccc(S(=O)(=O)C2(CC(=O)NOC(C)(C)C)CCNCC2)cc1
InChIInChI=1S/C18H28N2O5S/c1-17(2,3)25-20-16(21)13-18(9-11-19-12-10-18)26(22,23)15-7-5-14(24-4)6-8-15/h5-8,19H,9-13H2,1-4H3,(H,20,21)
InChIKeyJGYROOXUEZLUIR-UHFFFAOYSA-N
XLogP1.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-(4-methoxyphenyl)sulfonyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]piperidine-1-carboxylate
CID 139746782
ethyl 2-[4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]-4-(4-phenoxyphenyl)sulfonylpiperidin-1-yl]acetate
CID 21224255
2-[4-[4-(4-fluoro-3-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
CID 139932087
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 118179843
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 118179844
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
4-(4-methoxyphenoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720556
4-[2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 70081128
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;hydrochloride
CID 120887429
methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate
CID 22907089
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 15997698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 139746806) is 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide is COc1ccc(S(=O)(=O)C2(CC(=O)NOC(C)(C)C)CCNCC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is JGYROOXUEZLUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-17(2,3)25-20-16(21)13-18(9-11-19-12-10-18)26(22,23)15-7-5-14(24-4)6-8-15/h5-8,19H,9-13H2,1-4H3,(H,20,21).
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 139746806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).