[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

C25H26N2O7S — CID 2118503

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3OC)c2)cc1
InChIInChI=1S/C25H26N2O7S/c1-27(20-11-13-21(32-2)14-12-20)35(30,31)22-9-6-8-18(15-22)25(29)34-17-24(28)26-16-19-7-4-5-10-23(19)33-3/h4-15H,16-17H2,1-3H3,(H,26,28)
InChIKeyHAGKMQOYWINOEU-UHFFFAOYSA-N
MW498.56 g/mol
LogP3.00
Rot. Bonds10

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 2118503) has the molecular formula C25H26N2O7S and a molecular weight of 498.56 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID2118503
Molecular FormulaC25H26N2O7S
Molecular Weight498.56 g/mol
Exact Mass498.15
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3OC)c2)cc1
InChIInChI=1S/C25H26N2O7S/c1-27(20-11-13-21(32-2)14-12-20)35(30,31)22-9-6-8-18(15-22)25(29)34-17-24(28)26-16-19-7-4-5-10-23(19)33-3/h4-15H,16-17H2,1-3H3,(H,26,28)
InChIKeyHAGKMQOYWINOEU-UHFFFAOYSA-N
XLogP3.00
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 2083341
CID 2083341
CID 2387099
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CID 145956803
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CID 2513657
CID 2513657
CID 2519306
CID 2519306
CID 4791564
CID 4791564
CID 4853782
CID 4853782
CID 1250571
CID 1250571
CID 1277944
CID 1277944
CID 2917766
CID 2917766
CID 2926629
CID 2926629
CID 4651552
CID 4651552

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 2118503) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3OC)c2)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is HAGKMQOYWINOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7S/c1-27(20-11-13-21(32-2)14-12-20)35(30,31)22-9-6-8-18(15-22)25(29)34-17-24(28)26-16-19-7-4-5-10-23(19)33-3/h4-15H,16-17H2,1-3H3,(H,26,28).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 498.56 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2118503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).