5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole

C17H17NO2S — CID 162658863

IUPAC5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole
SMILESCCOc1ccc2[nH]cc(Sc3ccccc3OC)c2c1
InChIInChI=1S/C17H17NO2S/c1-3-20-12-8-9-14-13(10-12)17(11-18-14)21-16-7-5-4-6-15(16)19-2/h4-11,18H,3H2,1-2H3
InChIKeyYGUFBFCRIMCZPY-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.73
Rot. Bonds5

About 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole

5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole (PubChem CID 162658863) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole
PubChem CID162658863
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole
SMILESCCOc1ccc2[nH]cc(Sc3ccccc3OC)c2c1
InChIInChI=1S/C17H17NO2S/c1-3-20-12-8-9-14-13(10-12)17(11-18-14)21-16-7-5-4-6-15(16)19-2/h4-11,18H,3H2,1-2H3
InChIKeyYGUFBFCRIMCZPY-UHFFFAOYSA-N
XLogP4.73
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole 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

5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
5-Benzyloxyindole
CID 14624
Indole, 3-(3-amino-2-propyl)-5-methoxy-
CID 30241

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole?
The IUPAC name of 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole (CID 162658863) is 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole.
What is the SMILES notation for 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole?
The canonical SMILES for 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole is CCOc1ccc2[nH]cc(Sc3ccccc3OC)c2c1.
What is the InChIKey of 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole?
The InChIKey is YGUFBFCRIMCZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-20-12-8-9-14-13(10-12)17(11-18-14)21-16-7-5-4-6-15(16)19-2/h4-11,18H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole?
5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole has a molecular weight of 299.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(2-methoxyphenyl)sulfanyl-1H-indole is sourced from PubChem (CID 162658863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).