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

C26H28N2O3S — CID 125063411

IUPAC4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O3S/c1-19-8-12-22(13-9-19)17-27(32(30,31)24-14-10-20(2)11-15-24)18-26(29)28-21(3)16-23-6-4-5-7-25(23)28/h4-15,21H,16-18H2,1-3H3/t21-/m1/s1
InChIKeyZOEVXIDWCDVPOE-OAQYLSRUSA-N
MW448.59 g/mol
LogP4.47
Rot. Bonds6

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

4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 125063411) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID125063411
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O3S/c1-19-8-12-22(13-9-19)17-27(32(30,31)24-14-10-20(2)11-15-24)18-26(29)28-21(3)16-23-6-4-5-7-25(23)28/h4-15,21H,16-18H2,1-3H3/t21-/m1/s1
InChIKeyZOEVXIDWCDVPOE-OAQYLSRUSA-N
XLogP4.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2545359
4-bromo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 133179910
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
N-[(4-fluorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793142
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793311
N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125062751
4-chloro-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791923
4-chloro-N-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179817
4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794643
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793407

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 125063411) is 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CN(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is ZOEVXIDWCDVPOE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-19-8-12-22(13-9-19)17-27(32(30,31)24-14-10-20(2)11-15-24)18-26(29)28-21(3)16-23-6-4-5-7-25(23)28/h4-15,21H,16-18H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 125063411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).