2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide

C17H26FN3O4S — CID 6493539

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O4S/c1-2-21(26(23,24)16-6-4-15(18)5-7-16)14-17(22)19-8-3-9-20-10-12-25-13-11-20/h4-7H,2-3,8-14H2,1H3,(H,19,22)
InChIKeyUNQVJXJIPMXJDI-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.67
Rot. Bonds9

About 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 6493539) has the molecular formula C17H26FN3O4S and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID6493539
Molecular FormulaC17H26FN3O4S
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O4S/c1-2-21(26(23,24)16-6-4-15(18)5-7-16)14-17(22)19-8-3-9-20-10-12-25-13-11-20/h4-7H,2-3,8-14H2,1H3,(H,19,22)
InChIKeyUNQVJXJIPMXJDI-UHFFFAOYSA-N
XLogP0.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.67
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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Related Compounds

4-Fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 893873
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
N-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide
CID 2977215
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 5309079
4-((4-Fluorophenyl)sulfonyl)piperazin-2-one
CID 4320295
ethyl 4-[N-(phenylsulfonyl)-beta-alanyl]-1-piperazinecarboxylate
CID 2977126
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-[3-(4-morpholinyl)propyl]glycinamide
CID 2977526
2-[(2-Benzenesulfonylamino-acetyl)-(2-morpholin-4-yl-ethyl)-amino]-N-tert-butyl-3-methyl-butyramide
CID 3207184
N'-cyclohexyl-N-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3308299
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 4341568

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide (CID 6493539) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide is CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is UNQVJXJIPMXJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O4S/c1-2-21(26(23,24)16-6-4-15(18)5-7-16)14-17(22)19-8-3-9-20-10-12-25-13-11-20/h4-7H,2-3,8-14H2,1H3,(H,19,22).
What are the key properties of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 0.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 6493539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).