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

C21H32N2O5S — CID 2951283

IUPACethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O5S/c1-4-28-21(25)18-11-13-23(14-12-18)20(24)10-7-17-5-8-19(9-6-17)29(26,27)22-15-16(2)3/h5-6,8-9,16,18,22H,4,7,10-15H2,1-3H3
InChIKeyAIDCMENNNMASQL-UHFFFAOYSA-N
MW424.56 g/mol
LogP2.36
Rot. Bonds9

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

ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (PubChem CID 2951283) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
PubChem CID2951283
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC Nameethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O5S/c1-4-28-21(25)18-11-13-23(14-12-18)20(24)10-7-17-5-8-19(9-6-17)29(26,27)22-15-16(2)3/h5-6,8-9,16,18,22H,4,7,10-15H2,1-3H3
InChIKeyAIDCMENNNMASQL-UHFFFAOYSA-N
XLogP2.36
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[3-[4-(2-methylpropylsulfamoyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (CID 2951283) is ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The InChIKey is AIDCMENNNMASQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-4-28-21(25)18-11-13-23(14-12-18)20(24)10-7-17-5-8-19(9-6-17)29(26,27)22-15-16(2)3/h5-6,8-9,16,18,22H,4,7,10-15H2,1-3H3.
What are the key properties of ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate has a molecular weight of 424.56 g/mol, XLogP of 2.36, 9 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-methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2951283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).