methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate

C14H22N2O5S — CID 120717694

IUPACmethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
SMILESCOCCNCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1
InChIInChI=1S/C14H22N2O5S/c1-11-4-5-12(10-13(11)14(17)21-3)22(18,19)16-7-6-15-8-9-20-2/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyGMTPXYWHDRCYRH-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.30
Rot. Bonds9

About methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate

methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate (PubChem CID 120717694) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
PubChem CID120717694
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Namemethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
SMILESCOCCNCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1
InChIInChI=1S/C14H22N2O5S/c1-11-4-5-12(10-13(11)14(17)21-3)22(18,19)16-7-6-15-8-9-20-2/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyGMTPXYWHDRCYRH-UHFFFAOYSA-N
XLogP0.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
methyl 2-methyl-5-(2-phenylsulfanylethylsulfamoyl)benzoate
CID 100695565
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate (CID 120717694) is methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate is COCCNCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate?
The InChIKey is GMTPXYWHDRCYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-11-4-5-12(10-13(11)14(17)21-3)22(18,19)16-7-6-15-8-9-20-2/h4-5,10,15-16H,6-9H2,1-3H3.
What are the key properties of methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate?
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate has a molecular weight of 330.41 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 120717694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).