(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate

C20H24N2O5S — CID 2546179

IUPAC(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1C
InChIInChI=1S/C20H24N2O5S/c1-4-22(5-2)28(25,26)18-13-16(12-11-15(18)3)20(24)27-14-19(23)21-17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyHBAZUGXPIZEUHQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.82
Rot. Bonds8

About (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate

(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate (PubChem CID 2546179) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
PubChem CID2546179
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1C
InChIInChI=1S/C20H24N2O5S/c1-4-22(5-2)28(25,26)18-13-16(12-11-15(18)3)20(24)27-14-19(23)21-17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyHBAZUGXPIZEUHQ-UHFFFAOYSA-N
XLogP2.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 55319718
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546286
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546237
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545734
[2-(4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072245
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
[2-(4-chloroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55316038
[2-(3-chloroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510805
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 55313740
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate (CID 2546179) is (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1C.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate?
The InChIKey is HBAZUGXPIZEUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-22(5-2)28(25,26)18-13-16(12-11-15(18)3)20(24)27-14-19(23)21-17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate?
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate has a molecular weight of 404.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate is sourced from PubChem (CID 2546179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).