3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide

C17H25ClN2O4S — CID 4177498

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H25ClN2O4S/c18-16-4-2-15(3-5-16)14-25(22,23)13-6-17(21)19-7-1-8-20-9-11-24-12-10-20/h2-5H,1,6-14H2,(H,19,21)
InChIKeyXWPAYDZOQDPQBB-UHFFFAOYSA-N
MW388.92 g/mol
LogP1.48
Rot. Bonds9

About 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide

3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 4177498) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID4177498
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H25ClN2O4S/c18-16-4-2-15(3-5-16)14-25(22,23)13-6-17(21)19-7-1-8-20-9-11-24-12-10-20/h2-5H,1,6-14H2,(H,19,21)
InChIKeyXWPAYDZOQDPQBB-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-chlorophenyl)methylsulfonyl]-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-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 4177498) is 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide is O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCOCC1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is XWPAYDZOQDPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c18-16-4-2-15(3-5-16)14-25(22,23)13-6-17(21)19-7-1-8-20-9-11-24-12-10-20/h2-5H,1,6-14H2,(H,19,21).
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 388.92 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 4177498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).