methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate

C19H23NO6S — CID 47063153

IUPACmethyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)OC)cc1C
InChIInChI=1S/C19H23NO6S/c1-13-5-7-17(16(11-13)19(21)25-4)20-27(22,23)15-6-8-18(14(2)12-15)26-10-9-24-3/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyXNMDJLIZKUDBKX-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.92
Rot. Bonds8

About methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate

methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate (PubChem CID 47063153) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
PubChem CID47063153
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Namemethyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)OC)cc1C
InChIInChI=1S/C19H23NO6S/c1-13-5-7-17(16(11-13)19(21)25-4)20-27(22,23)15-6-8-18(14(2)12-15)26-10-9-24-3/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyXNMDJLIZKUDBKX-UHFFFAOYSA-N
XLogP2.92
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.92
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

methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
CID 55638896
methyl 2-(bromomethylsulfonylamino)-5-methylbenzoate
CID 83083614
N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
CID 46417508
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
methyl 4-fluoro-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372761
methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate
CID 43624406
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954338
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate?
The IUPAC name of methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate (CID 47063153) is methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate is COCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)OC)cc1C.
What is the InChIKey of methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate?
The InChIKey is XNMDJLIZKUDBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-13-5-7-17(16(11-13)19(21)25-4)20-27(22,23)15-6-8-18(14(2)12-15)26-10-9-24-3/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate?
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate has a molecular weight of 393.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate is sourced from PubChem (CID 47063153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).