2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate

C19H23N3O5S — CID 2322587

IUPAC2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-22(4-2)28(25,26)17-9-7-15(8-10-17)19(24)27-13-12-21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyCEVXBGAPKBNJKW-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.70
Rot. Bonds9

About 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate

2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate (PubChem CID 2322587) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate
PubChem CID2322587
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-22(4-2)28(25,26)17-9-7-15(8-10-17)19(24)27-13-12-21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyCEVXBGAPKBNJKW-UHFFFAOYSA-N
XLogP1.70
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate 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 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate?
The IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate (CID 2322587) is 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate?
The InChIKey is CEVXBGAPKBNJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-22(4-2)28(25,26)17-9-7-15(8-10-17)19(24)27-13-12-21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate?
2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate has a molecular weight of 405.48 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2322587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).