[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C26H28N2O6S — CID 42963469

IUPAC[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C26H28N2O6S/c1-5-19-10-14-21(15-11-19)27-25(29)18(2)34-26(30)20-12-16-22(17-13-20)35(31,32)28(3)23-8-6-7-9-24(23)33-4/h6-18H,5H2,1-4H3,(H,27,29)
InChIKeyLJKSEJQCIMZFSH-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.27
Rot. Bonds9

About [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 42963469) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID42963469
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C26H28N2O6S/c1-5-19-10-14-21(15-11-19)27-25(29)18(2)34-26(30)20-12-16-22(17-13-20)35(31,32)28(3)23-8-6-7-9-24(23)33-4/h6-18H,5H2,1-4H3,(H,27,29)
InChIKeyLJKSEJQCIMZFSH-UHFFFAOYSA-N
XLogP4.27
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate with MolForge

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595310
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26374632
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
ethyl 5-[2-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 3588356
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943877
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4599949
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 42963469) is [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is CCc1ccc(NC(=O)C(C)OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1.
What is the InChIKey of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is LJKSEJQCIMZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-5-19-10-14-21(15-11-19)27-25(29)18(2)34-26(30)20-12-16-22(17-13-20)35(31,32)28(3)23-8-6-7-9-24(23)33-4/h6-18H,5H2,1-4H3,(H,27,29).
What are the key properties of [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 496.59 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 42963469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).