2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide

C17H25Cl2N3O4S — CID 6493538

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N3O4S/c1-2-22(27(24,25)16-12-14(18)4-5-15(16)19)13-17(23)20-6-3-7-21-8-10-26-11-9-21/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,23)
InChIKeyGFJMEROPYDJRLZ-UHFFFAOYSA-N
MW438.38 g/mol
LogP1.84
Rot. Bonds9

About 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 6493538) has the molecular formula C17H25Cl2N3O4S and a molecular weight of 438.38 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID6493538
Molecular FormulaC17H25Cl2N3O4S
Molecular Weight438.38 g/mol
Exact Mass437.09
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N3O4S/c1-2-22(27(24,25)16-12-14(18)4-5-15(16)19)13-17(23)20-6-3-7-21-8-10-26-11-9-21/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,23)
InChIKeyGFJMEROPYDJRLZ-UHFFFAOYSA-N
XLogP1.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide (CID 6493538) is 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide is CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is GFJMEROPYDJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O4S/c1-2-22(27(24,25)16-12-14(18)4-5-15(16)19)13-17(23)20-6-3-7-21-8-10-26-11-9-21/h4-5,12H,2-3,6-11,13H2,1H3,(H,20,23).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 438.38 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 6493538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).