methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate

C19H23NO5S — CID 100558556

IUPACmethyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)cc2C)ccc1C
InChIInChI=1S/C19H23NO5S/c1-13-5-8-18(15(3)11-13)25-10-9-20-26(22,23)16-7-6-14(2)17(12-16)19(21)24-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyDMYUNRKBJGXRPJ-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.76
Rot. Bonds7

About methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate

methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate (PubChem CID 100558556) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
PubChem CID100558556
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namemethyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)cc2C)ccc1C
InChIInChI=1S/C19H23NO5S/c1-13-5-8-18(15(3)11-13)25-10-9-20-26(22,23)16-7-6-14(2)17(12-16)19(21)24-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyDMYUNRKBJGXRPJ-UHFFFAOYSA-N
XLogP2.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.76
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

4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
1-[2-(2,4-dimethylphenoxy)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]urea
CID 36962696
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
N-[2-(2,4-dimethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113100921
methyl 2-methyl-5-(2-phenylsulfanylethylsulfamoyl)benzoate
CID 100695565
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate (CID 100558556) is methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate is COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)cc2C)ccc1C.
What is the InChIKey of methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate?
The InChIKey is DMYUNRKBJGXRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13-5-8-18(15(3)11-13)25-10-9-20-26(22,23)16-7-6-14(2)17(12-16)19(21)24-4/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate?
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate has a molecular weight of 377.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 100558556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).