methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate

C14H21NO5S — CID 115625371

IUPACmethyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(CC(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-14(2,10-19-3)15-21(17,18)12-7-5-11(6-8-12)9-13(16)20-4/h5-8,15H,9-10H2,1-4H3
InChIKeyADZFRPUHQSMZCY-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.11
Rot. Bonds7

About methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate

methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate (PubChem CID 115625371) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
PubChem CID115625371
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(CC(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-14(2,10-19-3)15-21(17,18)12-7-5-11(6-8-12)9-13(16)20-4/h5-8,15H,9-10H2,1-4H3
InChIKeyADZFRPUHQSMZCY-UHFFFAOYSA-N
XLogP1.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate
CID 64973995
N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
CID 39371867
3-chloro-N-(1-methoxy-2-methylpropan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106080650
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
methyl 2-[4-(2-methylsulfanylpropylsulfamoyl)phenyl]acetate
CID 115756345
methyl 2-[4-(pent-1-yn-3-ylsulfamoyl)phenyl]acetate
CID 106898614

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate (CID 115625371) is methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate is COCC(C)(C)NS(=O)(=O)c1ccc(CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate?
The InChIKey is ADZFRPUHQSMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-14(2,10-19-3)15-21(17,18)12-7-5-11(6-8-12)9-13(16)20-4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate?
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate has a molecular weight of 315.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate is sourced from PubChem (CID 115625371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).