methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate

C15H24N2O5S — CID 119989908

IUPACmethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C15H24N2O5S/c1-5-15(16,6-2)10-17-23(19,20)11-7-8-13(21-3)12(9-11)14(18)22-4/h7-9,17H,5-6,10,16H2,1-4H3
InChIKeyBEWUIHXXXSIIJF-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.28
Rot. Bonds8

About methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate

methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate (PubChem CID 119989908) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
PubChem CID119989908
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Namemethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C15H24N2O5S/c1-5-15(16,6-2)10-17-23(19,20)11-7-8-13(21-3)12(9-11)14(18)22-4/h7-9,17H,5-6,10,16H2,1-4H3
InChIKeyBEWUIHXXXSIIJF-UHFFFAOYSA-N
XLogP1.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
dimethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119989930
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
N-(2-amino-2-ethylbutyl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 120875444
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
amino 5-ethylsulfonyl-2-methoxybenzoate
CID 138682570
methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate
CID 119989981

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate (CID 119989908) is methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate is CCC(N)(CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate?
The InChIKey is BEWUIHXXXSIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-15(16,6-2)10-17-23(19,20)11-7-8-13(21-3)12(9-11)14(18)22-4/h7-9,17H,5-6,10,16H2,1-4H3.
What are the key properties of methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate?
methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate has a molecular weight of 344.43 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate is sourced from PubChem (CID 119989908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).