2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C19H23NO5S — CID 7234461

IUPAC2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H23NO5S/c1-14-5-4-6-17(11-14)24-9-10-25-19(21)13-20-26(22,23)18-8-7-15(2)16(3)12-18/h4-8,11-12,20H,9-10,13H2,1-3H3
InChIKeyJSFMADVJYMYODX-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.51
Rot. Bonds8

About 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 7234461) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID7234461
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H23NO5S/c1-14-5-4-6-17(11-14)24-9-10-25-19(21)13-20-26(22,23)18-8-7-15(2)16(3)12-18/h4-8,11-12,20H,9-10,13H2,1-3H3
InChIKeyJSFMADVJYMYODX-UHFFFAOYSA-N
XLogP2.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxyethyl benzoate
CID 42977014
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7569957
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
2-(4-methylphenoxy)ethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 7982933
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
(3,3-dimethyl-2-oxobutyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234571
2-(3-methylphenoxy)ethyl 4-(methylsulfamoyl)benzoate
CID 46670090
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
propan-2-yl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 43010505
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570249

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 7234461) is 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is Cc1cccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is JSFMADVJYMYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-5-4-6-17(11-14)24-9-10-25-19(21)13-20-26(22,23)18-8-7-15(2)16(3)12-18/h4-8,11-12,20H,9-10,13H2,1-3H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 377.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 7234461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).