N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide

C22H30N2O3S — CID 100535559

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCN2CCc3ccccc32)cc1C(C)C
InChIInChI=1S/C22H30N2O3S/c1-16(2)19-15-22(17(3)14-21(19)27-4)28(25,26)23-11-7-12-24-13-10-18-8-5-6-9-20(18)24/h5-6,8-9,14-16,23H,7,10-13H2,1-4H3
InChIKeyRSRYOTNKWHIKHA-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.86
Rot. Bonds8

About N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 100535559) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID100535559
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCN2CCc3ccccc32)cc1C(C)C
InChIInChI=1S/C22H30N2O3S/c1-16(2)19-15-22(17(3)14-21(19)27-4)28(25,26)23-11-7-12-24-13-10-18-8-5-6-9-20(18)24/h5-6,8-9,14-16,23H,7,10-13H2,1-4H3
InChIKeyRSRYOTNKWHIKHA-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[3-(2,3-dihydroindol-1-yl)propylsulfamoyl]-4-methylbenzoate
CID 37309226
4-methoxy-2-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 100557539
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110370788
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100583918
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271
N-[2-(4-tert-butylphenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100561505
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 21091819

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide (CID 100535559) is N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCCN2CCc3ccccc32)cc1C(C)C.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is RSRYOTNKWHIKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16(2)19-15-22(17(3)14-21(19)27-4)28(25,26)23-11-7-12-24-13-10-18-8-5-6-9-20(18)24/h5-6,8-9,14-16,23H,7,10-13H2,1-4H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 100535559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).