[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

C22H28N2O8S — CID 4234348

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1
InChIInChI=1S/C22H28N2O8S/c1-24(2)33(27,28)18-11-12-20(30-4)19(14-18)23-21(25)15-32-22(26)6-5-13-31-17-9-7-16(29-3)8-10-17/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25)
InChIKeyLZBNKJVXTXLGBP-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.30
Rot. Bonds12

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 4234348) has the molecular formula C22H28N2O8S and a molecular weight of 480.54 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID4234348
Molecular FormulaC22H28N2O8S
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1
InChIInChI=1S/C22H28N2O8S/c1-24(2)33(27,28)18-11-12-20(30-4)19(14-18)23-21(25)15-32-22(26)6-5-13-31-17-9-7-16(29-3)8-10-17/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25)
InChIKeyLZBNKJVXTXLGBP-UHFFFAOYSA-N
XLogP2.30
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489147
N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 8800569
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-cyanobenzoate
CID 7716966
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16503896
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 5026554
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 42976920
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (CID 4234348) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is COc1ccc(OCCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is LZBNKJVXTXLGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8S/c1-24(2)33(27,28)18-11-12-20(30-4)19(14-18)23-21(25)15-32-22(26)6-5-13-31-17-9-7-16(29-3)8-10-17/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 480.54 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 4234348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).