methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate

C23H22N2O6S — CID 91181743

IUPACmethyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C23H22N2O6S/c1-24(16-22(27)31-2)23(28)17-12-14-19(15-13-17)32(29,30)25(18-8-4-3-5-9-18)20-10-6-7-11-21(20)26/h3-15,26H,16H2,1-2H3
InChIKeyJASAZGMAGUEKIB-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.16
Rot. Bonds7

About methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate

methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate (PubChem CID 91181743) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate
PubChem CID91181743
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Namemethyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C23H22N2O6S/c1-24(16-22(27)31-2)23(28)17-12-14-19(15-13-17)32(29,30)25(18-8-4-3-5-9-18)20-10-6-7-11-21(20)26/h3-15,26H,16H2,1-2H3
InChIKeyJASAZGMAGUEKIB-UHFFFAOYSA-N
XLogP3.16
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate (CID 91181743) is methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1.
What is the InChIKey of methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate?
The InChIKey is JASAZGMAGUEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-24(16-22(27)31-2)23(28)17-12-14-19(15-13-17)32(29,30)25(18-8-4-3-5-9-18)20-10-6-7-11-21(20)26/h3-15,26H,16H2,1-2H3.
What are the key properties of methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate?
methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate has a molecular weight of 454.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzoyl]-methylamino]acetate is sourced from PubChem (CID 91181743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).