methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate

C20H24N2O7S — CID 55638896

IUPACmethyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1C
InChIInChI=1S/C20H24N2O7S/c1-14-12-17(8-9-18(14)29-11-10-27-2)30(25,26)22-16-6-4-15(5-7-16)20(24)21-13-19(23)28-3/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyLWANLHDBFJZLHU-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.72
Rot. Bonds10

About methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate

methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate (PubChem CID 55638896) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
PubChem CID55638896
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC Namemethyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1C
InChIInChI=1S/C20H24N2O7S/c1-14-12-17(8-9-18(14)29-11-10-27-2)30(25,26)22-16-6-4-15(5-7-16)20(24)21-13-19(23)28-3/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyLWANLHDBFJZLHU-UHFFFAOYSA-N
XLogP1.72
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate with MolForge

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
methyl 2-[[4-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]acetate
CID 46627936
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
CID 163355301
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate (CID 55638896) is methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate is COCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1C.
What is the InChIKey of methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate?
The InChIKey is LWANLHDBFJZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-14-12-17(8-9-18(14)29-11-10-27-2)30(25,26)22-16-6-4-15(5-7-16)20(24)21-13-19(23)28-3/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate?
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate has a molecular weight of 436.49 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate is sourced from PubChem (CID 55638896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).