methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate

C15H24N2O4S — CID 119983230

IUPACmethyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(CN)CC(C)C)c1C
InChIInChI=1S/C15H24N2O4S/c1-10(2)8-12(9-16)17-22(19,20)14-7-5-6-13(11(14)3)15(18)21-4/h5-7,10,12,17H,8-9,16H2,1-4H3
InChIKeyNAEMLOGVQZVXFG-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.43
Rot. Bonds7

About methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate

methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate (PubChem CID 119983230) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate
PubChem CID119983230
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(CN)CC(C)C)c1C
InChIInChI=1S/C15H24N2O4S/c1-10(2)8-12(9-16)17-22(19,20)14-7-5-6-13(11(14)3)15(18)21-4/h5-7,10,12,17H,8-9,16H2,1-4H3
InChIKeyNAEMLOGVQZVXFG-UHFFFAOYSA-N
XLogP1.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]benzoate
CID 61247386
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 3-(3-aminopropylsulfamoyl)-2-methylbenzoate
CID 119962127
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
methyl 3-(4-aminobutylsulfamoyl)-2-methylbenzoate
CID 120583645
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 119973087
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
CID 119983242

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate (CID 119983230) is methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate is COC(=O)c1cccc(S(=O)(=O)NC(CN)CC(C)C)c1C.
What is the InChIKey of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate?
The InChIKey is NAEMLOGVQZVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10(2)8-12(9-16)17-22(19,20)14-7-5-6-13(11(14)3)15(18)21-4/h5-7,10,12,17H,8-9,16H2,1-4H3.
What are the key properties of methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate?
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate has a molecular weight of 328.43 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 119983230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).