3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide

C21H24N2O5S — CID 15993621

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C21H24N2O5S/c1-3-28-20-7-5-4-6-18(20)22-21(25)11-13-29(26,27)17-8-9-19-16(14-17)10-12-23(19)15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyFPVGOOOPZJPJHD-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.80
Rot. Bonds7

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 15993621) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
PubChem CID15993621
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C21H24N2O5S/c1-3-28-20-7-5-4-6-18(20)22-21(25)11-13-29(26,27)17-8-9-19-16(14-17)10-12-23(19)15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyFPVGOOOPZJPJHD-UHFFFAOYSA-N
XLogP2.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
CID 46253995
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 46506114
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide
CID 20855786
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 126459390
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20855778
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853452
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098430

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide (CID 15993621) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is FPVGOOOPZJPJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-3-28-20-7-5-4-6-18(20)22-21(25)11-13-29(26,27)17-8-9-19-16(14-17)10-12-23(19)15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 416.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 15993621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).