[4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

C29H34N2O5S — CID 66561565

IUPAC[4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H34N2O5S/c1-3-31(4-2)37(34,35)27-17-15-26(16-18-27)36-28(32)30-21-19-25(20-22-30)29(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25,33H,3-4,19-22H2,1-2H3
InChIKeyWHDZHIGKERTDFJ-UHFFFAOYSA-N
MW522.67 g/mol
LogP4.86
Rot. Bonds8

About [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

[4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 66561565) has the molecular formula C29H34N2O5S and a molecular weight of 522.67 g/mol. Its IUPAC name is [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID66561565
Molecular FormulaC29H34N2O5S
Molecular Weight522.67 g/mol
Exact Mass522.22
IUPAC Name[4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H34N2O5S/c1-3-31(4-2)37(34,35)27-17-15-26(16-18-27)36-28(32)30-21-19-25(20-22-30)29(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25,33H,3-4,19-22H2,1-2H3
InChIKeyWHDZHIGKERTDFJ-UHFFFAOYSA-N
XLogP4.86
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.67
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 66561565) is [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is WHDZHIGKERTDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5S/c1-3-31(4-2)37(34,35)27-17-15-26(16-18-27)36-28(32)30-21-19-25(20-22-30)29(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25,33H,3-4,19-22H2,1-2H3.
What are the key properties of [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
[4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 522.67 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66561565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).