3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide

C15H24N2O5S — CID 113144790

IUPAC3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)NCCOC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-4-22-14-8-6-5-7-13(14)17(23(3,19)20)11-9-15(18)16-10-12-21-2/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyFTOOPOKNLURRRM-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.00
Rot. Bonds10

About 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide

3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113144790) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113144790
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)NCCOC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-4-22-14-8-6-5-7-13(14)17(23(3,19)20)11-9-15(18)16-10-12-21-2/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyFTOOPOKNLURRRM-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-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide (CID 113144790) is 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide is CCOc1ccccc1N(CCC(=O)NCCOC)S(C)(=O)=O.
What is the InChIKey of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is FTOOPOKNLURRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-4-22-14-8-6-5-7-13(14)17(23(3,19)20)11-9-15(18)16-10-12-21-2/h5-8H,4,9-12H2,1-3H3,(H,16,18).
What are the key properties of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide 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 3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113144790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).