1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide

C18H27N3O5S — CID 166435529

IUPAC1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-4-21(5-2)27(25,26)15-6-7-17(23)16(12-15)19-18(24)14-8-10-20(11-9-14)13(3)22/h6-7,12,14,23H,4-5,8-11H2,1-3H3,(H,19,24)
InChIKeyWMQRSYUTSAQROW-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.62
Rot. Bonds6

About 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide

1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide (PubChem CID 166435529) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
PubChem CID166435529
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-4-21(5-2)27(25,26)15-6-7-17(23)16(12-15)19-18(24)14-8-10-20(11-9-14)13(3)22/h6-7,12,14,23H,4-5,8-11H2,1-3H3,(H,19,24)
InChIKeyWMQRSYUTSAQROW-UHFFFAOYSA-N
XLogP1.62
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide 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

1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
(2S,4S)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631843
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 30831036
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18149059
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide (CID 166435529) is 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide?
The InChIKey is WMQRSYUTSAQROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-4-21(5-2)27(25,26)15-6-7-17(23)16(12-15)19-18(24)14-8-10-20(11-9-14)13(3)22/h6-7,12,14,23H,4-5,8-11H2,1-3H3,(H,19,24).
What are the key properties of 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide?
1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 166435529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).