4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole

C17H19NOS — CID 83173603

IUPAC4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
SMILESCCOc1cccc2c1ccn2Cc1ccc(CC)s1
InChIInChI=1S/C17H19NOS/c1-3-13-8-9-14(20-13)12-18-11-10-15-16(18)6-5-7-17(15)19-4-2/h5-11H,3-4,12H2,1-2H3
InChIKeyFXRTYQMUBLGDRV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.71
Rot. Bonds5

About 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole

4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole (PubChem CID 83173603) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole.

Molecular Properties

Compound Name4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
PubChem CID83173603
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
SMILESCCOc1cccc2c1ccn2Cc1ccc(CC)s1
InChIInChI=1S/C17H19NOS/c1-3-13-8-9-14(20-13)12-18-11-10-15-16(18)6-5-7-17(15)19-4-2/h5-11H,3-4,12H2,1-2H3
InChIKeyFXRTYQMUBLGDRV-UHFFFAOYSA-N
XLogP4.71
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]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

1-[(5-ethylthiophen-2-yl)methyl]indole-4-carboxylic acid
CID 43316617
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 83174607
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
4-ethoxy-1-(oxan-4-ylmethyl)indole
CID 83174245
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
CID 83163642
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole?
The IUPAC name of 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole (CID 83173603) is 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole.
What is the SMILES notation for 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole?
The canonical SMILES for 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole is CCOc1cccc2c1ccn2Cc1ccc(CC)s1.
What is the InChIKey of 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole?
The InChIKey is FXRTYQMUBLGDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-13-8-9-14(20-13)12-18-11-10-15-16(18)6-5-7-17(15)19-4-2/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole?
4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole has a molecular weight of 285.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole is sourced from PubChem (CID 83173603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).