N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide

C20H24N2O3S — CID 113085626

IUPACN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12
InChIInChI=1S/C20H24N2O3S/c1-14-9-10-19(25-4)20(13-14)26(23,24)21-12-11-16-15(2)22(3)18-8-6-5-7-17(16)18/h5-10,13,21H,11-12H2,1-4H3
InChIKeyUPGOSOIBLXOLLL-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide

N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 113085626) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID113085626
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12
InChIInChI=1S/C20H24N2O3S/c1-14-9-10-19(25-4)20(13-14)26(23,24)21-12-11-16-15(2)22(3)18-8-6-5-7-17(16)18/h5-10,13,21H,11-12H2,1-4H3
InChIKeyUPGOSOIBLXOLLL-UHFFFAOYSA-N
XLogP3.32
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698
N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 113085634
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90535181
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
2-methoxy-5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113096499
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110789137
2-methoxy-5-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314695
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide (CID 113085626) is N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12.
What is the InChIKey of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is UPGOSOIBLXOLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-9-10-19(25-4)20(13-14)26(23,24)21-12-11-16-15(2)22(3)18-8-6-5-7-17(16)18/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 113085626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).