1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

C24H32N4O4S — CID 55454864

IUPAC1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H32N4O4S/c1-18(2)27-33(31,32)17-21-10-7-6-9-19(21)15-25-23(29)20-11-8-14-28(16-20)24(30)26-22-12-4-3-5-13-22/h3-7,9-10,12-13,18,20,27H,8,11,14-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyWDPLRXNVLZHDFD-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.07
Rot. Bonds8

About 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 55454864) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID55454864
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H32N4O4S/c1-18(2)27-33(31,32)17-21-10-7-6-9-19(21)15-25-23(29)20-11-8-14-28(16-20)24(30)26-22-12-4-3-5-13-22/h3-7,9-10,12-13,18,20,27H,8,11,14-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyWDPLRXNVLZHDFD-UHFFFAOYSA-N
XLogP3.07
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9074260
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
N'-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 110934317
N'-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934316

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide (CID 55454864) is 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is WDPLRXNVLZHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-18(2)27-33(31,32)17-21-10-7-6-9-19(21)15-25-23(29)20-11-8-14-28(16-20)24(30)26-22-12-4-3-5-13-22/h3-7,9-10,12-13,18,20,27H,8,11,14-17H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55454864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).