4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide

C17H21NO5S — CID 175731670

IUPAC4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide
SMILESCOCCOCCCC(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO5S/c1-22-12-13-23-11-5-10-17(19)18-24(20,21)16-9-4-7-14-6-2-3-8-15(14)16/h2-4,6-9H,5,10-13H2,1H3,(H,18,19)
InChIKeyRLKSILKNFSVGMN-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.09
Rot. Bonds9

About 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide

4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide (PubChem CID 175731670) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide
PubChem CID175731670
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide
SMILESCOCCOCCCC(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO5S/c1-22-12-13-23-11-5-10-17(19)18-24(20,21)16-9-4-7-14-6-2-3-8-15(14)16/h2-4,6-9H,5,10-13H2,1H3,(H,18,19)
InChIKeyRLKSILKNFSVGMN-UHFFFAOYSA-N
XLogP2.09
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide (CID 175731670) is 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide is COCCOCCCC(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide?
The InChIKey is RLKSILKNFSVGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-22-12-13-23-11-5-10-17(19)18-24(20,21)16-9-4-7-14-6-2-3-8-15(14)16/h2-4,6-9H,5,10-13H2,1H3,(H,18,19).
What are the key properties of 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide?
4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide has a molecular weight of 351.42 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide is sourced from PubChem (CID 175731670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).