3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide

C24H33N3O5S — CID 3241341

IUPAC3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H33N3O5S/c1-19-4-10-22(11-5-19)33(29,30)26-23(20-6-8-21(31-2)9-7-20)18-24(28)25-12-3-13-27-14-16-32-17-15-27/h4-11,23,26H,3,12-18H2,1-2H3,(H,25,28)
InChIKeyDBDWNRLOZSSFSX-UHFFFAOYSA-N
MW475.61 g/mol
LogP2.25
Rot. Bonds11

About 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide

3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 3241341) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID3241341
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H33N3O5S/c1-19-4-10-22(11-5-19)33(29,30)26-23(20-6-8-21(31-2)9-7-20)18-24(28)25-12-3-13-27-14-16-32-17-15-27/h4-11,23,26H,3,12-18H2,1-2H3,(H,25,28)
InChIKeyDBDWNRLOZSSFSX-UHFFFAOYSA-N
XLogP2.25
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide 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 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide (CID 3241341) is 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide is COc1ccc(C(CC(=O)NCCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is DBDWNRLOZSSFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-19-4-10-22(11-5-19)33(29,30)26-23(20-6-8-21(31-2)9-7-20)18-24(28)25-12-3-13-27-14-16-32-17-15-27/h4-11,23,26H,3,12-18H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide?
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 475.61 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 3241341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).