N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide

C14H21N3O4S — CID 2186538

IUPACN-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21N3O4S/c18-14(12-17-8-10-21-11-9-17)15-6-7-16-22(19,20)13-4-2-1-3-5-13/h1-5,16H,6-12H2,(H,15,18)
InChIKeyPIWNUPZBJFRMIY-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.59
Rot. Bonds7

About N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide

N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide (PubChem CID 2186538) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide
PubChem CID2186538
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21N3O4S/c18-14(12-17-8-10-21-11-9-17)15-6-7-16-22(19,20)13-4-2-1-3-5-13/h1-5,16H,6-12H2,(H,15,18)
InChIKeyPIWNUPZBJFRMIY-UHFFFAOYSA-N
XLogP-0.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide (CID 2186538) is N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide?
The InChIKey is PIWNUPZBJFRMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c18-14(12-17-8-10-21-11-9-17)15-6-7-16-22(19,20)13-4-2-1-3-5-13/h1-5,16H,6-12H2,(H,15,18).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide?
N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide has a molecular weight of 327.41 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2186538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).