[2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate

C27H26N2O4S — CID 2469720

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C27H26N2O4S/c1-2-28(21-11-4-3-5-12-21)25(30)18-33-27(32)22-13-7-9-15-24(22)34-19-26(31)29-17-16-20-10-6-8-14-23(20)29/h3-15H,2,16-19H2,1H3
InChIKeyHXIRRODUGHUWKU-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.58
Rot. Bonds8

About [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate

[2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate (PubChem CID 2469720) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate
PubChem CID2469720
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C27H26N2O4S/c1-2-28(21-11-4-3-5-12-21)25(30)18-33-27(32)22-13-7-9-15-24(22)34-19-26(31)29-17-16-20-10-6-8-14-23(20)29/h3-15H,2,16-19H2,1H3
InChIKeyHXIRRODUGHUWKU-UHFFFAOYSA-N
XLogP4.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065887
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide
CID 78780144
N-(3-aminobutyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119496904
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545
N-(2-aminoethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119383530
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)ethyl]benzamide
CID 146122881
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112810627
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 112762206
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119506702
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate (CID 2469720) is [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate is CCN(C(=O)COC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate?
The InChIKey is HXIRRODUGHUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-2-28(21-11-4-3-5-12-21)25(30)18-33-27(32)22-13-7-9-15-24(22)34-19-26(31)29-17-16-20-10-6-8-14-23(20)29/h3-15H,2,16-19H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate?
[2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate has a molecular weight of 474.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoate is sourced from PubChem (CID 2469720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).