2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide

C21H22N2O4S — CID 94627376

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide
SMILESCN(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-23(28(25,26)18-10-3-2-4-11-18)16-21(24)22-14-15-27-20-13-7-9-17-8-5-6-12-19(17)20/h2-13H,14-16H2,1H3,(H,22,24)
InChIKeyIKQGKGCRUPUIQT-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.66
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide (PubChem CID 94627376) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide
PubChem CID94627376
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide
SMILESCN(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-23(28(25,26)18-10-3-2-4-11-18)16-21(24)22-14-15-27-20-13-7-9-17-8-5-6-12-19(17)20/h2-13H,14-16H2,1H3,(H,22,24)
InChIKeyIKQGKGCRUPUIQT-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365896
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide (CID 94627376) is 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide is CN(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide?
The InChIKey is IKQGKGCRUPUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-23(28(25,26)18-10-3-2-4-11-18)16-21(24)22-14-15-27-20-13-7-9-17-8-5-6-12-19(17)20/h2-13H,14-16H2,1H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide has a molecular weight of 398.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide is sourced from PubChem (CID 94627376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).