[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

C23H21NO5S — CID 32698494

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C23H21NO5S/c1-17-11-13-18(14-12-17)22(25)16-29-23(26)19-7-6-10-21(15-19)30(27,28)24(2)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
InChIKeyZJTVVZJFUNRVQN-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.86
Rot. Bonds7

About [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 32698494) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID32698494
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C23H21NO5S/c1-17-11-13-18(14-12-17)22(25)16-29-23(26)19-7-6-10-21(15-19)30(27,28)24(2)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
InChIKeyZJTVVZJFUNRVQN-UHFFFAOYSA-N
XLogP3.86
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003002
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604550
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46638410
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate (CID 32698494) is [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate is Cc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is ZJTVVZJFUNRVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-17-11-13-18(14-12-17)22(25)16-29-23(26)19-7-6-10-21(15-19)30(27,28)24(2)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 423.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 32698494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).