[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

C26H28N2O5S — CID 4802880

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-4-19-10-9-11-20(5-2)25(19)27-24(29)18-33-26(30)21-14-16-23(17-15-21)34(31,32)28(3)22-12-7-6-8-13-22/h6-17H,4-5,18H2,1-3H3,(H,27,29)
InChIKeyJKDAVUVLUZOGHE-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.43
Rot. Bonds9

About [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 4802880) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID4802880
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-4-19-10-9-11-20(5-2)25(19)27-24(29)18-33-26(30)21-14-16-23(17-15-21)34(31,32)28(3)22-12-7-6-8-13-22/h6-17H,4-5,18H2,1-3H3,(H,27,29)
InChIKeyJKDAVUVLUZOGHE-UHFFFAOYSA-N
XLogP4.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-difluoroanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 36501143
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16533371
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2652498
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
[2-(2,6-diethylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 3952415
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753193
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4882629
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603676
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 42968816
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598983
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42001667

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate (CID 4802880) is [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate is CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is JKDAVUVLUZOGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-4-19-10-9-11-20(5-2)25(19)27-24(29)18-33-26(30)21-14-16-23(17-15-21)34(31,32)28(3)22-12-7-6-8-13-22/h6-17H,4-5,18H2,1-3H3,(H,27,29).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate?
[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 480.59 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 4802880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).