4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

C20H24N2O4S — CID 3964819

IUPAC4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-26-15-5-8-17(9-6-15)27(23,24)21-12-11-18-14(2)22-20-10-7-16(25-3)13-19(18)20/h5-10,13,21-22H,4,11-12H2,1-3H3
InChIKeyRCEWGJLBIHJCDR-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.40
Rot. Bonds8

About 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3964819) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID3964819
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-26-15-5-8-17(9-6-15)27(23,24)21-12-11-18-14(2)22-20-10-7-16(25-3)13-19(18)20/h5-10,13,21-22H,4,11-12H2,1-3H3
InChIKeyRCEWGJLBIHJCDR-UHFFFAOYSA-N
XLogP3.40
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 15944031
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 98033031
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 1260172
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 3964819) is 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is RCEWGJLBIHJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-26-15-5-8-17(9-6-15)27(23,24)21-12-11-18-14(2)22-20-10-7-16(25-3)13-19(18)20/h5-10,13,21-22H,4,11-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3964819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).