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

C21H24N2O6S — CID 2557443

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1
InChIInChI=1S/C21H24N2O6S/c1-4-23(5-2)30(27,28)17-12-10-16(11-13-17)21(26)29-14-20(25)22-19-9-7-6-8-18(19)15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyIFZNRXHAJQABBM-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.72
Rot. Bonds9

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

[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 2557443) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID2557443
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1
InChIInChI=1S/C21H24N2O6S/c1-4-23(5-2)30(27,28)17-12-10-16(11-13-17)21(26)29-14-20(25)22-19-9-7-6-8-18(19)15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyIFZNRXHAJQABBM-UHFFFAOYSA-N
XLogP2.72
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
[2-(2-acetylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670960
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
[2-(2-acetylanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631779
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-(2-acetylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2418106
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 2557443) is [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is IFZNRXHAJQABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-4-23(5-2)30(27,28)17-12-10-16(11-13-17)21(26)29-14-20(25)22-19-9-7-6-8-18(19)15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 432.50 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2557443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).