methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate

C14H19NO4S — CID 115650746

IUPACmethyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)N(C)C2CCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-15(12-4-3-5-12)20(17,18)13-8-6-11(7-9-13)10-14(16)19-2/h6-9,12H,3-5,10H2,1-2H3
InChIKeyZEBQIGPTKBDJSY-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate

methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate (PubChem CID 115650746) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
PubChem CID115650746
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)N(C)C2CCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-15(12-4-3-5-12)20(17,18)13-8-6-11(7-9-13)10-14(16)19-2/h6-9,12H,3-5,10H2,1-2H3
InChIKeyZEBQIGPTKBDJSY-UHFFFAOYSA-N
XLogP1.58
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 1448139
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate (CID 115650746) is methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate is COC(=O)Cc1ccc(S(=O)(=O)N(C)C2CCC2)cc1.
What is the InChIKey of methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate?
The InChIKey is ZEBQIGPTKBDJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-15(12-4-3-5-12)20(17,18)13-8-6-11(7-9-13)10-14(16)19-2/h6-9,12H,3-5,10H2,1-2H3.
What are the key properties of methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate?
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate has a molecular weight of 297.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate is sourced from PubChem (CID 115650746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).