N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide

C25H26N2O4S — CID 95082926

IUPACN-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cccc(C)c4)ccc3C[C@@H]2C)cc1
InChIInChI=1S/C25H26N2O4S/c1-17-5-4-6-23(13-17)32(29,30)26-16-19-7-8-21-14-18(2)27(24(21)15-19)25(28)20-9-11-22(31-3)12-10-20/h4-13,15,18,26H,14,16H2,1-3H3/t18-/m0/s1
InChIKeyZQJONPPKWZEFIS-SFHVURJKSA-N
MW450.56 g/mol
LogP4.07
Rot. Bonds6

About N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide

N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide (PubChem CID 95082926) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide
PubChem CID95082926
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cccc(C)c4)ccc3C[C@@H]2C)cc1
InChIInChI=1S/C25H26N2O4S/c1-17-5-4-6-23(13-17)32(29,30)26-16-19-7-8-21-14-18(2)27(24(21)15-19)25(28)20-9-11-22(31-3)12-10-20/h4-13,15,18,26H,14,16H2,1-3H3/t18-/m0/s1
InChIKeyZQJONPPKWZEFIS-SFHVURJKSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 95082904
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 53102706
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082891
4-chloro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102694
2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102713
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102687
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95082978
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
N-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082998
2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709
2,6-difluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099409
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide (CID 95082926) is N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide is COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4cccc(C)c4)ccc3C[C@@H]2C)cc1.
What is the InChIKey of N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is ZQJONPPKWZEFIS-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-17-5-4-6-23(13-17)32(29,30)26-16-19-7-8-21-14-18(2)27(24(21)15-19)25(28)20-9-11-22(31-3)12-10-20/h4-13,15,18,26H,14,16H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide?
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 95082926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).