[2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate

C18H19NO6S — CID 31689453

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H19NO6S/c1-11-8-13(9-17(12(11)2)26(19,22)23)18(21)25-10-15(20)14-6-4-5-7-16(14)24-3/h4-9H,10H2,1-3H3,(H2,19,22,23)
InChIKeyMTZKNNIBWUEELP-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.00
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate (PubChem CID 31689453) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate
PubChem CID31689453
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H19NO6S/c1-11-8-13(9-17(12(11)2)26(19,22)23)18(21)25-10-15(20)14-6-4-5-7-16(14)24-3/h4-9H,10H2,1-3H3,(H2,19,22,23)
InChIKeyMTZKNNIBWUEELP-UHFFFAOYSA-N
XLogP2.00
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate
CID 31804832
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535076
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7679711
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2513375
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520940
2-O-ethyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16501844
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate (CID 31689453) is [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate is COc1ccccc1C(=O)COC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate?
The InChIKey is MTZKNNIBWUEELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-11-8-13(9-17(12(11)2)26(19,22)23)18(21)25-10-15(20)14-6-4-5-7-16(14)24-3/h4-9H,10H2,1-3H3,(H2,19,22,23).
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate has a molecular weight of 377.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate is sourced from PubChem (CID 31689453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).