2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide

C15H24N2O5S — CID 2260858

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O5S/c1-4-22-14-8-6-13(7-9-14)17(23(3,19)20)12-15(18)16-10-5-11-21-2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyOONKNPUMYYKEJE-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.00
Rot. Bonds10

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 2260858) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID2260858
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O5S/c1-4-22-14-8-6-13(7-9-14)17(23(3,19)20)12-15(18)16-10-5-11-21-2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyOONKNPUMYYKEJE-UHFFFAOYSA-N
XLogP1.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.00
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

N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30268815
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30220425
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide (CID 2260858) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide is CCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is OONKNPUMYYKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-4-22-14-8-6-13(7-9-14)17(23(3,19)20)12-15(18)16-10-5-11-21-2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2260858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).