[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C19H22N2O5S — CID 2433703

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-4-6-15(7-5-14)12-20-18(22)13-26-19(23)16-8-10-17(11-9-16)27(24,25)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeySKDYIIZTJUQGET-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.72
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2433703) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2433703
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-4-6-15(7-5-14)12-20-18(22)13-26-19(23)16-8-10-17(11-9-16)27(24,25)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeySKDYIIZTJUQGET-UHFFFAOYSA-N
XLogP1.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 2433703) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is SKDYIIZTJUQGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-4-6-15(7-5-14)12-20-18(22)13-26-19(23)16-8-10-17(11-9-16)27(24,25)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 390.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).