2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide

C21H26N2O5S — CID 15944031

IUPAC2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(OC)c(C)cc3OC)c2c1
InChIInChI=1S/C21H26N2O5S/c1-13-10-20(28-5)21(12-19(13)27-4)29(24,25)22-9-8-16-14(2)23-18-7-6-15(26-3)11-17(16)18/h6-7,10-12,22-23H,8-9H2,1-5H3
InChIKeyCIDDLROQBICKJS-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.33
Rot. Bonds8

About 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide

2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 15944031) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID15944031
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(OC)c(C)cc3OC)c2c1
InChIInChI=1S/C21H26N2O5S/c1-13-10-20(28-5)21(12-19(13)27-4)29(24,25)22-9-8-16-14(2)23-18-7-6-15(26-3)11-17(16)18/h6-7,10-12,22-23H,8-9H2,1-5H3
InChIKeyCIDDLROQBICKJS-UHFFFAOYSA-N
XLogP3.33
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852
N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 2209378
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113086252
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 3314633
4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 1260172
2-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-5-nitrobenzenesulfonamide
CID 4310047
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide (CID 15944031) is 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide is COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(OC)c(C)cc3OC)c2c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CIDDLROQBICKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-13-10-20(28-5)21(12-19(13)27-4)29(24,25)22-9-8-16-14(2)23-18-7-6-15(26-3)11-17(16)18/h6-7,10-12,22-23H,8-9H2,1-5H3.
What are the key properties of 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15944031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).