[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C19H22N2O5S — CID 7448392

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCCc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-14-7-5-6-8-17(14)20-18(22)13-26-19(23)15-9-11-16(12-10-15)27(24,25)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyNYXSXSVDAJLCBC-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.29
Rot. Bonds7

About [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 7448392) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID7448392
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCCc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-14-7-5-6-8-17(14)20-18(22)13-26-19(23)15-9-11-16(12-10-15)27(24,25)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyNYXSXSVDAJLCBC-UHFFFAOYSA-N
XLogP2.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
[2-(2-tert-butylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602460
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
[2-(2,6-diethylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 4802880
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603676
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669
[2-(2-methoxyanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943438
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 7448392) is [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CCc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is NYXSXSVDAJLCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-14-7-5-6-8-17(14)20-18(22)13-26-19(23)15-9-11-16(12-10-15)27(24,25)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7448392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).