[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C20H25N3O7S2 — CID 2394606

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25N3O7S2/c1-15-3-7-18(8-4-15)32(28,29)23(2)13-20(25)30-14-19(24)22-12-11-16-5-9-17(10-6-16)31(21,26)27/h3-10H,11-14H2,1-2H3,(H,22,24)(H2,21,26,27)
InChIKeySDZUMAQGSVNSTR-UHFFFAOYSA-N
MW483.57 g/mol
LogP0.17
Rot. Bonds10

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2394606) has the molecular formula C20H25N3O7S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID2394606
Molecular FormulaC20H25N3O7S2
Molecular Weight483.57 g/mol
Exact Mass483.11
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25N3O7S2/c1-15-3-7-18(8-4-15)32(28,29)23(2)13-20(25)30-14-19(24)22-12-11-16-5-9-17(10-6-16)31(21,26)27/h3-10H,11-14H2,1-2H3,(H,22,24)(H2,21,26,27)
InChIKeySDZUMAQGSVNSTR-UHFFFAOYSA-N
XLogP0.17
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 2394606) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is SDZUMAQGSVNSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7S2/c1-15-3-7-18(8-4-15)32(28,29)23(2)13-20(25)30-14-19(24)22-12-11-16-5-9-17(10-6-16)31(21,26)27/h3-10H,11-14H2,1-2H3,(H,22,24)(H2,21,26,27).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 483.57 g/mol, XLogP of 0.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2394606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).