[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C20H23N3O7S — CID 55934456

IUPAC[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H23N3O7S/c1-12(2)18(22-19(25)16-4-3-9-29-16)20(26)30-11-17(24)23-8-7-13-10-14(31(21,27)28)5-6-15(13)23/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,22,25)(H2,21,27,28)/t18-/m0/s1
InChIKeyULLGXYGAHGDYEP-SFHVURJKSA-N
MW449.49 g/mol
LogP0.81
Rot. Bonds7

About [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 55934456) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID55934456
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H23N3O7S/c1-12(2)18(22-19(25)16-4-3-9-29-16)20(26)30-11-17(24)23-8-7-13-10-14(31(21,27)28)5-6-15(13)23/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,22,25)(H2,21,27,28)/t18-/m0/s1
InChIKeyULLGXYGAHGDYEP-SFHVURJKSA-N
XLogP0.81
TPSA149.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934781
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
N-[3-methyl-1-oxo-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]butan-2-yl]furan-2-carboxamide
CID 55671808
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575600
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 2378773
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55366879
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 55934456) is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is ULLGXYGAHGDYEP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-12(2)18(22-19(25)16-4-3-9-29-16)20(26)30-11-17(24)23-8-7-13-10-14(31(21,27)28)5-6-15(13)23/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,22,25)(H2,21,27,28)/t18-/m0/s1.
What are the key properties of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 449.49 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 55934456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).