[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

C25H26N2O5S — CID 2407936

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCC(C)N(C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H26N2O5S/c1-19(2)27(22-14-8-5-9-15-22)24(28)18-32-25(29)20-11-10-16-23(17-20)33(30,31)26(3)21-12-6-4-7-13-21/h4-17,19H,18H2,1-3H3
InChIKeyIAVIAQZLKWNFJT-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.11
Rot. Bonds8

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2407936) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2407936
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCC(C)N(C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H26N2O5S/c1-19(2)27(22-14-8-5-9-15-22)24(28)18-32-25(29)20-11-10-16-23(17-20)33(30,31)26(3)21-12-6-4-7-13-21/h4-17,19H,18H2,1-3H3
InChIKeyIAVIAQZLKWNFJT-UHFFFAOYSA-N
XLogP4.11
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2419733
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003252
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003002

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate (CID 2407936) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate is CC(C)N(C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is IAVIAQZLKWNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-19(2)27(22-14-8-5-9-15-22)24(28)18-32-25(29)20-11-10-16-23(17-20)33(30,31)26(3)21-12-6-4-7-13-21/h4-17,19H,18H2,1-3H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 466.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2407936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).