[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

C19H19N3O6S — CID 7653296

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESCOc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1
InChIInChI=1S/C19H19N3O6S/c1-27-16-7-4-5-14(9-16)11-21-18(23)13-28-19(24)12-22-29(25,26)17-8-3-2-6-15(17)10-20/h2-9,22H,11-13H2,1H3,(H,21,23)
InChIKeyUCSFNHBATDWLIV-UHFFFAOYSA-N
MW417.44 g/mol
LogP0.70
Rot. Bonds9

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (PubChem CID 7653296) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
PubChem CID7653296
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESCOc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1
InChIInChI=1S/C19H19N3O6S/c1-27-16-7-4-5-14(9-16)11-21-18(23)13-28-19(24)12-22-29(25,26)17-8-3-2-6-15(17)10-20/h2-9,22H,11-13H2,1H3,(H,21,23)
InChIKeyUCSFNHBATDWLIV-UHFFFAOYSA-N
XLogP0.70
TPSA134.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 2571060
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653278
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653231
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784198
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277057
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653528
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843444

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (CID 7653296) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is COc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The InChIKey is UCSFNHBATDWLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-27-16-7-4-5-14(9-16)11-21-18(23)13-28-19(24)12-22-29(25,26)17-8-3-2-6-15(17)10-20/h2-9,22H,11-13H2,1H3,(H,21,23).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate has a molecular weight of 417.44 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7653296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).