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

C24H24N2O6S — CID 2435767

IUPAC[2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O6S/c1-25(19-9-5-4-6-10-19)23(27)17-32-24(28)18-8-7-11-22(16-18)33(29,30)26(2)20-12-14-21(31-3)15-13-20/h4-16H,17H2,1-3H3
InChIKeyNDEBGALIAIHTLY-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.34
Rot. Bonds8

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

[2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 2435767) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID2435767
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O6S/c1-25(19-9-5-4-6-10-19)23(27)17-32-24(28)18-8-7-11-22(16-18)33(29,30)26(2)20-12-14-21(31-3)15-13-20/h4-16H,17H2,1-3H3
InChIKeyNDEBGALIAIHTLY-UHFFFAOYSA-N
XLogP3.34
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 2435767) is [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is NDEBGALIAIHTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-25(19-9-5-4-6-10-19)23(27)17-32-24(28)18-8-7-11-22(16-18)33(29,30)26(2)20-12-14-21(31-3)15-13-20/h4-16H,17H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
[2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 468.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2435767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).