methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate

C19H23NO8S — CID 661748

IUPACmethyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate
SMILESCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO8S/c1-24-13-6-8-16(25-2)15(10-13)20(12-19(21)28-5)29(22,23)14-7-9-17(26-3)18(11-14)27-4/h6-11H,12H2,1-5H3
InChIKeyMFHQYJJVWCIQEQ-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.09
Rot. Bonds9

About methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate

methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate (PubChem CID 661748) has the molecular formula C19H23NO8S and a molecular weight of 425.46 g/mol. Its IUPAC name is methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate
PubChem CID661748
Molecular FormulaC19H23NO8S
Molecular Weight425.46 g/mol
Exact Mass425.11
IUPAC Namemethyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate
SMILESCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO8S/c1-24-13-6-8-16(25-2)15(10-13)20(12-19(21)28-5)29(22,23)14-7-9-17(26-3)18(11-14)27-4/h6-11H,12H2,1-5H3
InChIKeyMFHQYJJVWCIQEQ-UHFFFAOYSA-N
XLogP2.09
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate?
The IUPAC name of methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate (CID 661748) is methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate.
What is the SMILES notation for methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate?
The canonical SMILES for methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate is COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate?
The InChIKey is MFHQYJJVWCIQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO8S/c1-24-13-6-8-16(25-2)15(10-13)20(12-19(21)28-5)29(22,23)14-7-9-17(26-3)18(11-14)27-4/h6-11H,12H2,1-5H3.
What are the key properties of methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate?
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate has a molecular weight of 425.46 g/mol, XLogP of 2.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetate is sourced from PubChem (CID 661748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).