(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate

C18H19N3O6S — CID 7826786

IUPAC(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O6S/c1-13(22)20-15-7-9-16(10-8-15)28(25,26)19-11-18(24)27-12-17(23)21-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFXZDDFSSUGTXKL-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.11
Rot. Bonds8

About (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate

(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 7826786) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID7826786
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O6S/c1-13(22)20-15-7-9-16(10-8-15)28(25,26)19-11-18(24)27-12-17(23)21-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFXZDDFSSUGTXKL-UHFFFAOYSA-N
XLogP1.11
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8924831
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664557
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 16599852
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725
(2-anilino-2-oxoethyl) 3-(4-acetamidophenyl)sulfonylpropanoate
CID 9067779
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826732
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4844460
(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847645
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839568
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 7826786) is (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is FXZDDFSSUGTXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-13(22)20-15-7-9-16(10-8-15)28(25,26)19-11-18(24)27-12-17(23)21-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate?
(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 405.43 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7826786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).