[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C21H25N3O6S — CID 55314654

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H25N3O6S/c1-4-24(5-2)31(28,29)19-12-6-16(7-13-19)21(27)30-14-20(26)23-18-10-8-17(9-11-18)22-15(3)25/h6-13H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyAZWCHJAAORFUFV-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.47
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 55314654) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID55314654
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H25N3O6S/c1-4-24(5-2)31(28,29)19-12-6-16(7-13-19)21(27)30-14-20(26)23-18-10-8-17(9-11-18)22-15(3)25/h6-13H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyAZWCHJAAORFUFV-UHFFFAOYSA-N
XLogP2.47
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2346813
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 55314654) is [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is AZWCHJAAORFUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-4-24(5-2)31(28,29)19-12-6-16(7-13-19)21(27)30-14-20(26)23-18-10-8-17(9-11-18)22-15(3)25/h6-13H,4-5,14H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 447.51 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 55314654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).