methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate

C15H21NO6S — CID 21348248

IUPACmethyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H21NO6S/c1-15(2,3)22-13(17)9-10-16-23(19,20)12-7-5-11(6-8-12)14(18)21-4/h5-8,16H,9-10H2,1-4H3
InChIKeyXRQUYJQPTSDVIV-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.48
Rot. Bonds6

About methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate

methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate (PubChem CID 21348248) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate
PubChem CID21348248
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Namemethyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H21NO6S/c1-15(2,3)22-13(17)9-10-16-23(19,20)12-7-5-11(6-8-12)14(18)21-4/h5-8,16H,9-10H2,1-4H3
InChIKeyXRQUYJQPTSDVIV-UHFFFAOYSA-N
XLogP1.48
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]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

tert-butyl 4-[(4-tert-butylphenyl)sulfonylamino]butanoate
CID 4988429
methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514
methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
CID 7725653
methyl 4-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 65113818
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
[amino-[4-[[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-oxopropyl]sulfamoyl]phenyl]methylidene]azanium
CID 91929622
4-[(4-methoxycarbonylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80537799
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
CID 3667575

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate (CID 21348248) is methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate?
The InChIKey is XRQUYJQPTSDVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-15(2,3)22-13(17)9-10-16-23(19,20)12-7-5-11(6-8-12)14(18)21-4/h5-8,16H,9-10H2,1-4H3.
What are the key properties of methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate?
methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate has a molecular weight of 343.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate is sourced from PubChem (CID 21348248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).