(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate

C18H20N2O7S — CID 8664557

IUPAC(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O7S/c1-25-15-9-8-14(10-16(15)26-2)28(23,24)19-11-18(22)27-12-17(21)20-13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyXDDDDGFZNDHFLU-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.16
Rot. Bonds9

About (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate

(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate (PubChem CID 8664557) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
PubChem CID8664557
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O7S/c1-25-15-9-8-14(10-16(15)26-2)28(23,24)19-11-18(22)27-12-17(21)20-13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyXDDDDGFZNDHFLU-UHFFFAOYSA-N
XLogP1.16
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847645
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664626
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969951
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570249
[2-(4-acetylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570282
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8924831

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate (CID 8664557) is (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate is COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The InChIKey is XDDDDGFZNDHFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-25-15-9-8-14(10-16(15)26-2)28(23,24)19-11-18(22)27-12-17(21)20-13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3,(H,20,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate has a molecular weight of 408.43 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8664557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).