4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C24H32N4O4S — CID 17484027

IUPAC4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-3-28(4-2)33(31,32)22-12-10-19(11-13-22)18-25-23(29)20-14-16-27(17-15-20)24(30)26-21-8-6-5-7-9-21/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyMHPLMUQVMOKFSY-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.28
Rot. Bonds8

About 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 17484027) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID17484027
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-3-28(4-2)33(31,32)22-12-10-19(11-13-22)18-25-23(29)20-14-16-27(17-15-20)24(30)26-21-8-6-5-7-9-21/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyMHPLMUQVMOKFSY-UHFFFAOYSA-N
XLogP3.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55487784
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096715

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 17484027) is 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is MHPLMUQVMOKFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-3-28(4-2)33(31,32)22-12-10-19(11-13-22)18-25-23(29)20-14-16-27(17-15-20)24(30)26-21-8-6-5-7-9-21/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 17484027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).