N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C27H30N2O3S — CID 125062751

IUPACN-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)Cc2ccccc2)c(C)c1
InChIInChI=1S/C27H30N2O3S/c1-19-14-20(2)27(21(3)15-19)33(31,32)28(17-23-10-6-5-7-11-23)18-26(30)29-22(4)16-24-12-8-9-13-25(24)29/h5-15,22H,16-18H2,1-4H3/t22-/m1/s1
InChIKeyKDGARHYRCCWHGW-JOCHJYFZSA-N
MW462.62 g/mol
LogP4.78
Rot. Bonds6

About N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 125062751) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID125062751
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC NameN-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)Cc2ccccc2)c(C)c1
InChIInChI=1S/C27H30N2O3S/c1-19-14-20(2)27(21(3)15-19)33(31,32)28(17-23-10-6-5-7-11-23)18-26(30)29-22(4)16-24-12-8-9-13-25(24)29/h5-15,22H,16-18H2,1-4H3/t22-/m1/s1
InChIKeyKDGARHYRCCWHGW-JOCHJYFZSA-N
XLogP4.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.78
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-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
N-benzyl-2,5-dichloro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791662
N-[(4-fluorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793142
4-bromo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 133179910
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133255066
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 133180012
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 133180007
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 125062751) is N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)Cc2ccccc2)c(C)c1.
What is the InChIKey of N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is KDGARHYRCCWHGW-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-19-14-20(2)27(21(3)15-19)33(31,32)28(17-23-10-6-5-7-11-23)18-26(30)29-22(4)16-24-12-8-9-13-25(24)29/h5-15,22H,16-18H2,1-4H3/t22-/m1/s1.
What are the key properties of N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 462.62 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4,6-trimethyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 125062751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).