methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate

C14H22N2O5S — CID 120716202

IUPACmethyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
SMILESCCCNCCNS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1
InChIInChI=1S/C14H22N2O5S/c1-4-7-15-8-9-16-22(18,19)11-5-6-12(14(17)21-3)13(10-11)20-2/h5-6,10,15-16H,4,7-9H2,1-3H3
InChIKeyMVELISAUZWEOTI-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.76
Rot. Bonds9

About methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate

methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate (PubChem CID 120716202) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
PubChem CID120716202
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Namemethyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
SMILESCCCNCCNS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1
InChIInChI=1S/C14H22N2O5S/c1-4-7-15-8-9-16-22(18,19)11-5-6-12(14(17)21-3)13(10-11)20-2/h5-6,10,15-16H,4,7-9H2,1-3H3
InChIKeyMVELISAUZWEOTI-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
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

methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 2-methoxy-4-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)benzoate
CID 120721499
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716186
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate (CID 120716202) is methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate is CCCNCCNS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1.
What is the InChIKey of methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate?
The InChIKey is MVELISAUZWEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-7-15-8-9-16-22(18,19)11-5-6-12(14(17)21-3)13(10-11)20-2/h5-6,10,15-16H,4,7-9H2,1-3H3.
What are the key properties of methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate?
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate has a molecular weight of 330.41 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate is sourced from PubChem (CID 120716202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).