methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate

C15H21NO4S — CID 115690444

IUPACmethyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-20-15(17)11-13-5-7-14(8-6-13)21(18,19)16-10-9-12-3-2-4-12/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyYSOZJVQBRPQRQA-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.87
Rot. Bonds7

About methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate

methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate (PubChem CID 115690444) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
PubChem CID115690444
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-20-15(17)11-13-5-7-14(8-6-13)21(18,19)16-10-9-12-3-2-4-12/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyYSOZJVQBRPQRQA-UHFFFAOYSA-N
XLogP1.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
2-[4-(cyclobutylmethylsulfamoyl)phenyl]ethanethioamide
CID 79184823
methyl 2-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethylsulfanyl]phenyl]acetate
CID 10340660
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371
methyl 2-[4-(2-methylsulfanylpropylsulfamoyl)phenyl]acetate
CID 115756345
methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 67783424
methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate
CID 18999568

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate (CID 115690444) is methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate is COC(=O)Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1.
What is the InChIKey of methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate?
The InChIKey is YSOZJVQBRPQRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-20-15(17)11-13-5-7-14(8-6-13)21(18,19)16-10-9-12-3-2-4-12/h5-8,12,16H,2-4,9-11H2,1H3.
What are the key properties of methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate?
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate has a molecular weight of 311.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate is sourced from PubChem (CID 115690444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).