N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide

C21H26N2O3S — CID 113086277

IUPACN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(OC(C)C)cc3)c2c1
InChIInChI=1S/C21H26N2O3S/c1-14(2)26-17-6-8-18(9-7-17)27(24,25)22-12-11-19-16(4)23-21-10-5-15(3)13-20(19)21/h5-10,13-14,22-23H,11-12H2,1-4H3
InChIKeyZDQJDAKPVZAWFL-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.09
Rot. Bonds7

About N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113086277) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113086277
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(OC(C)C)cc3)c2c1
InChIInChI=1S/C21H26N2O3S/c1-14(2)26-17-6-8-18(9-7-17)27(24,25)22-12-11-19-16(4)23-21-10-5-15(3)13-20(19)21/h5-10,13-14,22-23H,11-12H2,1-4H3
InChIKeyZDQJDAKPVZAWFL-UHFFFAOYSA-N
XLogP4.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 1260172
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
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-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202
5-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113086266
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 113085870
4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3739700
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide (CID 113086277) is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide is Cc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(OC(C)C)cc3)c2c1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ZDQJDAKPVZAWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14(2)26-17-6-8-18(9-7-17)27(24,25)22-12-11-19-16(4)23-21-10-5-15(3)13-20(19)21/h5-10,13-14,22-23H,11-12H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113086277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).