ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate

C25H32N2O5S — CID 126256730

IUPACethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H32N2O5S/c1-2-32-25(29)22-15-18-27(19-16-22)24(28)13-10-21-8-11-23(12-9-21)33(30,31)26-17-14-20-6-4-3-5-7-20/h3-9,11-12,22,26H,2,10,13-19H2,1H3
InChIKeyRALIIXCDLQAFFZ-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.94
Rot. Bonds10

About ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (PubChem CID 126256730) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
PubChem CID126256730
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Nameethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H32N2O5S/c1-2-32-25(29)22-15-18-27(19-16-22)24(28)13-10-21-8-11-23(12-9-21)33(30,31)26-17-14-20-6-4-3-5-7-20/h3-9,11-12,22,26H,2,10,13-19H2,1H3
InChIKeyRALIIXCDLQAFFZ-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate 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

ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 55347050
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-phenylethyl)benzenesulfonamide
CID 126242055
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (CID 126256730) is ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The InChIKey is RALIIXCDLQAFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-2-32-25(29)22-15-18-27(19-16-22)24(28)13-10-21-8-11-23(12-9-21)33(30,31)26-17-14-20-6-4-3-5-7-20/h3-9,11-12,22,26H,2,10,13-19H2,1H3.
What are the key properties of ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate has a molecular weight of 472.61 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 126256730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).