2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide

C20H24N2O4S — CID 17247274

IUPAC2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-14-21-20(23)15-26-18-10-8-17(9-11-18)22(5-2)27(24,25)19-12-6-16(3)7-13-19/h4,6-13H,1,5,14-15H2,2-3H3,(H,21,23)
InChIKeyJSZOMAQCMHXIDU-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.89
Rot. Bonds9

About 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide

2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide (PubChem CID 17247274) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
PubChem CID17247274
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-14-21-20(23)15-26-18-10-8-17(9-11-18)22(5-2)27(24,25)19-12-6-16(3)7-13-19/h4,6-13H,1,5,14-15H2,2-3H3,(H,21,23)
InChIKeyJSZOMAQCMHXIDU-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247359
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271136
dimethyl 5-[[2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 99960925
N-(3,4-dimethoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649278
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649314
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
CID 30170794
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649274
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 99960904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide (CID 17247274) is 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is JSZOMAQCMHXIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-14-21-20(23)15-26-18-10-8-17(9-11-18)22(5-2)27(24,25)19-12-6-16(3)7-13-19/h4,6-13H,1,5,14-15H2,2-3H3,(H,21,23).
What are the key properties of 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide?
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 388.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 17247274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).