2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide

C20H24N2O4S — CID 22304312

IUPAC2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(S(=O)(=O)c2ccc(C)cc2)c1OCC
InChIInChI=1S/C20H24N2O4S/c1-4-13-21-19(23)14-22-17-7-6-8-18(20(17)26-5-2)27(24,25)16-11-9-15(3)10-12-16/h4,6-12,22H,1,5,13-14H2,2-3H3,(H,21,23)
InChIKeyTYTZOZWKAAMGHC-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.94
Rot. Bonds9

About 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide

2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide (PubChem CID 22304312) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
PubChem CID22304312
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(S(=O)(=O)c2ccc(C)cc2)c1OCC
InChIInChI=1S/C20H24N2O4S/c1-4-13-21-19(23)14-22-17-7-6-8-18(20(17)26-5-2)27(24,25)16-11-9-15(3)10-12-16/h4,6-12,22H,1,5,13-14H2,2-3H3,(H,21,23)
InChIKeyTYTZOZWKAAMGHC-UHFFFAOYSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
CID 22307537
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 22307419
2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 22304144
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304114
2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
CID 17393792
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-3-methylsulfonylanilino)acetamide
CID 22304961
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
CID 22304964
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide (CID 22304312) is 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide is C=CCNC(=O)CNc1cccc(S(=O)(=O)c2ccc(C)cc2)c1OCC.
What is the InChIKey of 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide?
The InChIKey is TYTZOZWKAAMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-13-21-19(23)14-22-17-7-6-8-18(20(17)26-5-2)27(24,25)16-11-9-15(3)10-12-16/h4,6-12,22H,1,5,13-14H2,2-3H3,(H,21,23).
What are the key properties of 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide?
2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide has a molecular weight of 388.49 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide is sourced from PubChem (CID 22304312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).