[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate

C19H19N3O5S — CID 2430396

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O5S/c20-28(25,26)15-8-6-14(7-9-15)22-18(23)12-27-19(24)10-5-13-11-21-17-4-2-1-3-16(13)17/h1-4,6-9,11,21H,5,10,12H2,(H,22,23)(H2,20,25,26)
InChIKeyGNYAIZRIEKXIHL-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.93
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2430396) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2430396
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O5S/c20-28(25,26)15-8-6-14(7-9-15)22-18(23)12-27-19(24)10-5-13-11-21-17-4-2-1-3-16(13)17/h1-4,6-9,11,21H,5,10,12H2,(H,22,23)(H2,20,25,26)
InChIKeyGNYAIZRIEKXIHL-UHFFFAOYSA-N
XLogP1.93
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate with MolForge

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Related Compounds

3-(1h-Indol-3-Yl)-2-(4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino)-Propionic Acid
CID 444789
(R)-3-(1 H-Indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid
CID 5288108
(2R)-3-(1H-indol-3-yl)-2-[[4-[(4-iodobenzoyl)amino]phenyl]sulfonylamino]propanoic acid
CID 71734008
(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate
CID 2577847
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2604353
methyl 2-[3-(1H-indol-3-yl)propanoylamino]-3-phenylpropanoate
CID 3254635
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(1H-indol-3-yl)acetate
CID 4801773
(R)-3-(1H-Indol-3-yl)-2-(naphthalene-2-sulfonylamino)-propionic acid
CID 1800786
(R)-2-(Biphenyl-4-sulfonylamino)-3-(1H-indol-3-yl)-propionic acid
CID 2211098
(S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid ethyl ester
CID 9927733
(R)-2-(4-Benzoylamino-benzenesulfonylamino)-3-(1H-indol-3-yl)-propionic acid
CID 10576058
(R)-3-(1H-Indol-3-yl)-2-(4-p-tolylethynyl-benzenesulfonylamino)-propionic acid
CID 10623748

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate (CID 2430396) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is GNYAIZRIEKXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c20-28(25,26)15-8-6-14(7-9-15)22-18(23)12-27-19(24)10-5-13-11-21-17-4-2-1-3-16(13)17/h1-4,6-9,11,21H,5,10,12H2,(H,22,23)(H2,20,25,26).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 401.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2430396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).