N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide

C22H29N3O3S — CID 17152471

IUPACN-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-12-10-19(11-13-21)23-22(26)18-14-16-24(17-15-18)20-8-6-5-7-9-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,23,26)
InChIKeyARIVSWBWEMETOP-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.57
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide (PubChem CID 17152471) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
PubChem CID17152471
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-12-10-19(11-13-21)23-22(26)18-14-16-24(17-15-18)20-8-6-5-7-9-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,23,26)
InChIKeyARIVSWBWEMETOP-UHFFFAOYSA-N
XLogP3.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide (CID 17152471) is N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide?
The InChIKey is ARIVSWBWEMETOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-12-10-19(11-13-21)23-22(26)18-14-16-24(17-15-18)20-8-6-5-7-9-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).