3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide

C21H22N2O4S — CID 9115939

IUPAC3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCOc1ccccc1
InChIInChI=1S/C21H22N2O4S/c24-21(22-14-15-27-19-8-2-1-3-9-19)12-13-23-28(25,26)20-11-10-17-6-4-5-7-18(17)16-20/h1-11,16,23H,12-15H2,(H,22,24)
InChIKeyHNHWFASUEHZEBO-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.70
Rot. Bonds9

About 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide

3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide (PubChem CID 9115939) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide
PubChem CID9115939
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCOc1ccccc1
InChIInChI=1S/C21H22N2O4S/c24-21(22-14-15-27-19-8-2-1-3-9-19)12-13-23-28(25,26)20-11-10-17-6-4-5-7-18(17)16-20/h1-11,16,23H,12-15H2,(H,22,24)
InChIKeyHNHWFASUEHZEBO-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide (CID 9115939) is 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCOc1ccccc1.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide?
The InChIKey is HNHWFASUEHZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-21(22-14-15-27-19-8-2-1-3-9-19)12-13-23-28(25,26)20-11-10-17-6-4-5-7-18(17)16-20/h1-11,16,23H,12-15H2,(H,22,24).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide?
3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide has a molecular weight of 398.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 9115939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).