2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide

C16H24ClN3O4S — CID 5178492

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O4S/c1-19(25(22,23)15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-20-9-11-24-12-10-20/h3-6H,2,7-13H2,1H3,(H,18,21)
InChIKeyHQLSRSUHZUHRNJ-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.80
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 5178492) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID5178492
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O4S/c1-19(25(22,23)15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-20-9-11-24-12-10-20/h3-6H,2,7-13H2,1H3,(H,18,21)
InChIKeyHQLSRSUHZUHRNJ-UHFFFAOYSA-N
XLogP0.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.80
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-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide (CID 5178492) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide is CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is HQLSRSUHZUHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-19(25(22,23)15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-20-9-11-24-12-10-20/h3-6H,2,7-13H2,1H3,(H,18,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 389.91 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 5178492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).