N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C21H26N4O5S — CID 55812319

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C21H26N4O5S/c1-23(2)31(29,30)18-9-7-16(8-10-18)15-22-21(26)17-11-13-24(14-12-17)19-5-3-4-6-20(19)25(27)28/h3-10,17H,11-15H2,1-2H3,(H,22,26)
InChIKeyUEVYGMTZRRDEMW-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.38
Rot. Bonds7

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 55812319) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID55812319
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C21H26N4O5S/c1-23(2)31(29,30)18-9-7-16(8-10-18)15-22-21(26)17-11-13-24(14-12-17)19-5-3-4-6-20(19)25(27)28/h3-10,17H,11-15H2,1-2H3,(H,22,26)
InChIKeyUEVYGMTZRRDEMW-UHFFFAOYSA-N
XLogP2.38
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)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

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46579766
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55728023
N-benzyl-1-(4-methylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 27818193
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 31803031
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 32636358
N-benzyl-1-(4-cyano-2-nitrophenyl)piperidine-4-carboxamide
CID 27818192
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 87041286
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25356834

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 55812319) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is UEVYGMTZRRDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-23(2)31(29,30)18-9-7-16(8-10-18)15-22-21(26)17-11-13-24(14-12-17)19-5-3-4-6-20(19)25(27)28/h3-10,17H,11-15H2,1-2H3,(H,22,26).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55812319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).