4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide

C25H26N2O3S — CID 133239338

IUPAC4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3c4ccccc4CC3C)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-18-7-12-22(13-8-18)26-31(29,30)23-14-9-20(10-15-23)11-16-25(28)27-19(2)17-21-5-3-4-6-24(21)27/h3-10,12-15,19,26H,11,16-17H2,1-2H3
InChIKeyQHKMTQHZIHIKBC-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.71
Rot. Bonds6

About 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide

4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 133239338) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID133239338
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3c4ccccc4CC3C)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-18-7-12-22(13-8-18)26-31(29,30)23-14-9-20(10-15-23)11-16-25(28)27-19(2)17-21-5-3-4-6-24(21)27/h3-10,12-15,19,26H,11,16-17H2,1-2H3
InChIKeyQHKMTQHZIHIKBC-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
N-[4-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 113001166
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 2385382
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100735493
N-benzyl-4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2545359
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 42940841
4-bromo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 133179910

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide (CID 133239338) is 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3c4ccccc4CC3C)cc2)cc1.
What is the InChIKey of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is QHKMTQHZIHIKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-18-7-12-22(13-8-18)26-31(29,30)23-14-9-20(10-15-23)11-16-25(28)27-19(2)17-21-5-3-4-6-24(21)27/h3-10,12-15,19,26H,11,16-17H2,1-2H3.
What are the key properties of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide?
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 434.56 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 133239338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).