N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide

C24H22F3N3O3S — CID 122179028

IUPACN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)
InChIKeyMYAJUISELRUXRK-UHFFFAOYSA-N
MW489.52 g/mol
LogP4.47
Rot. Bonds7

About N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide (PubChem CID 122179028) has the molecular formula C24H22F3N3O3S and a molecular weight of 489.52 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide
PubChem CID122179028
Molecular FormulaC24H22F3N3O3S
Molecular Weight489.52 g/mol
Exact Mass489.13
IUPAC NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)
InChIKeyMYAJUISELRUXRK-UHFFFAOYSA-N
XLogP4.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179027
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide
CID 122179034
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179035
N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179036
N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179037
N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179038
N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179039
N-ethyl-N-(3-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3235643

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide (CID 122179028) is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccc(F)cc1)CC2.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide?
The InChIKey is MYAJUISELRUXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31).
What are the key properties of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide?
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide has a molecular weight of 489.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide is sourced from PubChem (CID 122179028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).