methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate

C14H19NO6S — CID 17411637

IUPACmethyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C(=O)OC)C(C)C)cc1
InChIInChI=1S/C14H19NO6S/c1-9(2)12(14(17)21-4)15-22(18,19)11-7-5-10(6-8-11)13(16)20-3/h5-9,12,15H,1-4H3
InChIKeyXTWWOGDKXDKUKD-UHFFFAOYSA-N
MW329.37 g/mol
LogP0.95
Rot. Bonds6

About methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate

methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate (PubChem CID 17411637) has the molecular formula C14H19NO6S and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
PubChem CID17411637
Molecular FormulaC14H19NO6S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Namemethyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C(=O)OC)C(C)C)cc1
InChIInChI=1S/C14H19NO6S/c1-9(2)12(14(17)21-4)15-22(18,19)11-7-5-10(6-8-11)13(16)20-3/h5-9,12,15H,1-4H3
InChIKeyXTWWOGDKXDKUKD-UHFFFAOYSA-N
XLogP0.95
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate 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 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028
methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
CID 43624280
methyl 3-methyl-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 3854139
methyl 2-[(4-isocyanophenyl)sulfonylamino]-3-methylbutanoate
CID 18340841
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
methyl 2-[(3-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 43452042
methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 54394859
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate (CID 17411637) is methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NC(C(=O)OC)C(C)C)cc1.
What is the InChIKey of methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate?
The InChIKey is XTWWOGDKXDKUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6S/c1-9(2)12(14(17)21-4)15-22(18,19)11-7-5-10(6-8-11)13(16)20-3/h5-9,12,15H,1-4H3.
What are the key properties of methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate?
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate has a molecular weight of 329.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 17411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).