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

C26H28N2O4S — CID 95082891

IUPACN-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccc(C)cc4C)ccc3C[C@H]2C)cc1
InChIInChI=1S/C26H28N2O4S/c1-17-5-12-25(18(2)13-17)33(30,31)27-16-20-6-7-22-14-19(3)28(24(22)15-20)26(29)21-8-10-23(32-4)11-9-21/h5-13,15,19,27H,14,16H2,1-4H3/t19-/m1/s1
InChIKeyFONJJWIOBNOIHV-LJQANCHMSA-N
MW464.59 g/mol
LogP4.38
Rot. Bonds6

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

N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 95082891) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
PubChem CID95082891
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccc(C)cc4C)ccc3C[C@H]2C)cc1
InChIInChI=1S/C26H28N2O4S/c1-17-5-12-25(18(2)13-17)33(30,31)27-16-20-6-7-22-14-19(3)28(24(22)15-20)26(29)21-8-10-23(32-4)11-9-21/h5-13,15,19,27H,14,16H2,1-4H3/t19-/m1/s1
InChIKeyFONJJWIOBNOIHV-LJQANCHMSA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082998
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide
CID 95082926
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 53102706
2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102713
4-chloro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102694
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102687
3-fluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 95082904
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95082978
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide
CID 95081653
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide (CID 95082891) is N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide is COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccc(C)cc4C)ccc3C[C@H]2C)cc1.
What is the InChIKey of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is FONJJWIOBNOIHV-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-17-5-12-25(18(2)13-17)33(30,31)27-16-20-6-7-22-14-19(3)28(24(22)15-20)26(29)21-8-10-23(32-4)11-9-21/h5-13,15,19,27H,14,16H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide?
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 95082891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).