(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C23H20N2O5S — CID 26188182

IUPAC(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C23H20N2O5S/c1-16(26)24-19-9-11-20(12-10-19)30-23(27)18-6-4-7-21(15-18)31(28,29)25-14-13-17-5-2-3-8-22(17)25/h2-12,15H,13-14H2,1H3,(H,24,26)
InChIKeyIVUSKNPDFULMJM-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.62
Rot. Bonds5

About (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 26188182) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID26188182
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C23H20N2O5S/c1-16(26)24-19-9-11-20(12-10-19)30-23(27)18-6-4-7-21(15-18)31(28,29)25-14-13-17-5-2-3-8-22(17)25/h2-12,15H,13-14H2,1H3,(H,24,26)
InChIKeyIVUSKNPDFULMJM-UHFFFAOYSA-N
XLogP3.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
(4-benzoylphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2407728
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
(2-anilino-2-oxoethyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551453
(4-acetamidophenyl) 3-piperidin-1-ylsulfonylbenzoate
CID 26188153
[2-(methylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8663402
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2642201
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23824667
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2638074

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 26188182) is (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is CC(=O)Nc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is IVUSKNPDFULMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-16(26)24-19-9-11-20(12-10-19)30-23(27)18-6-4-7-21(15-18)31(28,29)25-14-13-17-5-2-3-8-22(17)25/h2-12,15H,13-14H2,1H3,(H,24,26).
What are the key properties of (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 436.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 26188182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).