[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

C21H21N3O6S — CID 16603264

IUPAC[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H21N3O6S/c1-13(15-7-9-16(10-8-15)31(22,28)29)23-19(25)12-30-20(26)11-24-14(2)17-5-3-4-6-18(17)21(24)27/h3-10,13H,2,11-12H2,1H3,(H,23,25)(H2,22,28,29)
InChIKeyGGZRNBICFNUICA-UHFFFAOYSA-N
MW443.48 g/mol
LogP1.18
Rot. Bonds7

About [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (PubChem CID 16603264) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
PubChem CID16603264
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Name[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H21N3O6S/c1-13(15-7-9-16(10-8-15)31(22,28)29)23-19(25)12-30-20(26)11-24-14(2)17-5-3-4-6-18(17)21(24)27/h3-10,13H,2,11-12H2,1H3,(H,23,25)(H2,22,28,29)
InChIKeyGGZRNBICFNUICA-UHFFFAOYSA-N
XLogP1.18
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate with MolForge

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135586
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2-methoxyphenyl)acetate
CID 9336979
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-ethoxybenzoate
CID 9197483
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 9201232
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928577
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18135714
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846555
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-ethoxyphenyl)acetate
CID 16564974

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The IUPAC name of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (CID 16603264) is [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The canonical SMILES for [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The InChIKey is GGZRNBICFNUICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-13(15-7-9-16(10-8-15)31(22,28)29)23-19(25)12-30-20(26)11-24-14(2)17-5-3-4-6-18(17)21(24)27/h3-10,13H,2,11-12H2,1H3,(H,23,25)(H2,22,28,29).
What are the key properties of [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate has a molecular weight of 443.48 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is sourced from PubChem (CID 16603264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).