N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide

C22H28N4O4S — CID 24589298

IUPACN-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c23-31(29,30)20-8-6-19(7-9-20)25-21(27)12-15-26-13-10-18(11-14-26)22(28)24-16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,28)(H,25,27)(H2,23,29,30)
InChIKeyXDMWEOANYMLYSK-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.69
Rot. Bonds8

About N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide

N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide (PubChem CID 24589298) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
PubChem CID24589298
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c23-31(29,30)20-8-6-19(7-9-20)25-21(27)12-15-26-13-10-18(11-14-26)22(28)24-16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,28)(H,25,27)(H2,23,29,30)
InChIKeyXDMWEOANYMLYSK-UHFFFAOYSA-N
XLogP1.69
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 33215032
1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 25225132
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 55855975
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide
CID 55838548
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 51260859
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
CID 55648530
N-[[4-(butanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55781450

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide (CID 24589298) is N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide?
The InChIKey is XDMWEOANYMLYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c23-31(29,30)20-8-6-19(7-9-20)25-21(27)12-15-26-13-10-18(11-14-26)22(28)24-16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,28)(H,25,27)(H2,23,29,30).
What are the key properties of N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide?
N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 24589298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).