methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate

C17H18N2O6S — CID 1298200

IUPACmethyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C
InChIInChI=1S/C17H18N2O6S/c1-11-9-14(7-8-15(11)25-10-16(20)24-2)26(22,23)19-13-5-3-12(4-6-13)17(18)21/h3-9,19H,10H2,1-2H3,(H2,18,21)
InChIKeyVNAPNODHQLZGRS-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.45
Rot. Bonds7

About methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate

methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate (PubChem CID 1298200) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate
PubChem CID1298200
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Namemethyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C
InChIInChI=1S/C17H18N2O6S/c1-11-9-14(7-8-15(11)25-10-16(20)24-2)26(22,23)19-13-5-3-12(4-6-13)17(18)21/h3-9,19H,10H2,1-2H3,(H2,18,21)
InChIKeyVNAPNODHQLZGRS-UHFFFAOYSA-N
XLogP1.45
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate (CID 1298200) is methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C.
What is the InChIKey of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate?
The InChIKey is VNAPNODHQLZGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-11-9-14(7-8-15(11)25-10-16(20)24-2)26(22,23)19-13-5-3-12(4-6-13)17(18)21/h3-9,19H,10H2,1-2H3,(H2,18,21).
What are the key properties of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate?
methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate has a molecular weight of 378.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 1298200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).