2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide

C15H21N3O4S — CID 108520273

IUPAC2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC1CCCCN1C(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-11-4-2-3-9-18(11)15(20)14(19)17-10-12-5-7-13(8-6-12)23(16,21)22/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)(H2,16,21,22)
InChIKeyOYHWJRMKQHLWJJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.35
Rot. Bonds3

About 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 108520273) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID108520273
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC1CCCCN1C(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-11-4-2-3-9-18(11)15(20)14(19)17-10-12-5-7-13(8-6-12)23(16,21)22/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)(H2,16,21,22)
InChIKeyOYHWJRMKQHLWJJ-UHFFFAOYSA-N
XLogP0.35
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108530292
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 94172220
2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108520313
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523374
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 108520273) is 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide is CC1CCCCN1C(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is OYHWJRMKQHLWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-4-2-3-9-18(11)15(20)14(19)17-10-12-5-7-13(8-6-12)23(16,21)22/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)(H2,16,21,22).
What are the key properties of 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 108520273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).