(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide

C19H21N3O6S — CID 9056044

IUPAC(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C19H21N3O6S/c1-3-27-14-4-6-15(7-5-14)28-12(2)19(24)21-22-29(25,26)16-8-9-17-13(10-16)11-18(23)20-17/h4-10,12,22H,3,11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyXMMWUMGTLJTVLR-GFCCVEGCSA-N
MW419.46 g/mol
LogP1.36
Rot. Bonds8

About (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide

(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide (PubChem CID 9056044) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
PubChem CID9056044
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C19H21N3O6S/c1-3-27-14-4-6-15(7-5-14)28-12(2)19(24)21-22-29(25,26)16-8-9-17-13(10-16)11-18(23)20-17/h4-10,12,22H,3,11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyXMMWUMGTLJTVLR-GFCCVEGCSA-N
XLogP1.36
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 18197725
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9056007
N-[2-(4-ethoxyphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197732
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
CID 55353346
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-ethoxybenzenesulfonamide
CID 39339831
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 39419252
N-[(4-ethoxyphenyl)methyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46341346
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]oxyacetamide
CID 112673502
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide?
The IUPAC name of (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide (CID 9056044) is (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide?
The canonical SMILES for (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide is CCOc1ccc(O[C@H](C)C(=O)NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide?
The InChIKey is XMMWUMGTLJTVLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-3-27-14-4-6-15(7-5-14)28-12(2)19(24)21-22-29(25,26)16-8-9-17-13(10-16)11-18(23)20-17/h4-10,12,22H,3,11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide?
(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide has a molecular weight of 419.46 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide is sourced from PubChem (CID 9056044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).