2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate

C18H18N2O5S — CID 7679281

IUPAC2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESCc1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2O5S/c1-14-2-6-16(7-3-14)24-10-11-25-18(21)13-20-26(22,23)17-8-4-15(12-19)5-9-17/h2-9,20H,10-11,13H2,1H3
InChIKeyBEUHVQZPLJNJJV-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.77
Rot. Bonds8

About 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate

2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate (PubChem CID 7679281) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
PubChem CID7679281
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESCc1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2O5S/c1-14-2-6-16(7-3-14)24-10-11-25-18(21)13-20-26(22,23)17-8-4-15(12-19)5-9-17/h2-9,20H,10-11,13H2,1H3
InChIKeyBEUHVQZPLJNJJV-UHFFFAOYSA-N
XLogP1.77
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345
2-(4-methylphenoxy)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792619
2-(4-methylphenoxy)ethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 7982933
2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 46543973
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725584
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
2-(4-cyanophenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41151127
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234461

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate (CID 7679281) is 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate is Cc1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
The InChIKey is BEUHVQZPLJNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-14-2-6-16(7-3-14)24-10-11-25-18(21)13-20-26(22,23)17-8-4-15(12-19)5-9-17/h2-9,20H,10-11,13H2,1H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate?
2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate has a molecular weight of 374.42 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7679281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).