[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate

C19H20N2O6S — CID 7740998

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-13(22)14-6-10-17(11-7-14)28(25,26)20-16-8-4-15(5-9-16)19(24)27-12-18(23)21(2)3/h4-11,20H,12H2,1-3H3
InChIKeyKADPUCDSPNFFBM-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.93
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate

[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate (PubChem CID 7740998) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
PubChem CID7740998
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H20N2O6S/c1-13(22)14-6-10-17(11-7-14)28(25,26)20-16-8-4-15(5-9-16)19(24)27-12-18(23)21(2)3/h4-11,20H,12H2,1-3H3
InChIKeyKADPUCDSPNFFBM-UHFFFAOYSA-N
XLogP1.93
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741002
(3,3-dimethyl-2-oxobutyl) 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741006
[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2118244
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512714
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 30515965

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate (CID 7740998) is [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)N(C)C)cc2)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate?
The InChIKey is KADPUCDSPNFFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-13(22)14-6-10-17(11-7-14)28(25,26)20-16-8-4-15(5-9-16)19(24)27-12-18(23)21(2)3/h4-11,20H,12H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate?
[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate has a molecular weight of 404.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7740998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).