methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate

C15H21NO6S — CID 154760397

IUPACmethyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
SMILESCOC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C15H21NO6S/c1-15(2,3)14(18)16-23(19,20)12-7-6-11(21-4)8-10(12)9-13(17)22-5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyHSCVJBUQTDJVLA-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.26
Rot. Bonds5

About methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate

methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate (PubChem CID 154760397) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
PubChem CID154760397
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Namemethyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
SMILESCOC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C15H21NO6S/c1-15(2,3)14(18)16-23(19,20)12-7-6-11(21-4)8-10(12)9-13(17)22-5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyHSCVJBUQTDJVLA-UHFFFAOYSA-N
XLogP1.26
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate 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 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate
CID 126819068
methyl 2-[5-bromo-2-[(4-methoxy-2-methylphenyl)methylsulfamoyl]phenyl]acetate
CID 122545601
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
CID 79084888
2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622
2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 16775359
2-[2-(2-cyanopropylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 62666374
N-[(2-formyl-4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 14713110
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 63563903
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate (CID 154760397) is methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate is COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(=O)C(C)(C)C.
What is the InChIKey of methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate?
The InChIKey is HSCVJBUQTDJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-15(2,3)14(18)16-23(19,20)12-7-6-11(21-4)8-10(12)9-13(17)22-5/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate?
methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate has a molecular weight of 343.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate is sourced from PubChem (CID 154760397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).