2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole

C16H19NOS — CID 4657849

IUPAC2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(c1cc(C)sc1C)N2
InChIInChI=1S/C16H19NOS/c1-4-18-13-5-6-15-12(8-13)9-16(17-15)14-7-10(2)19-11(14)3/h5-8,16-17H,4,9H2,1-3H3
InChIKeyMSKKQNIFGNTVNW-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.47
Rot. Bonds3

About 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole

2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole (PubChem CID 4657849) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
PubChem CID4657849
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(c1cc(C)sc1C)N2
InChIInChI=1S/C16H19NOS/c1-4-18-13-5-6-15-12(8-13)9-16(17-15)14-7-10(2)19-11(14)3/h5-8,16-17H,4,9H2,1-3H3
InChIKeyMSKKQNIFGNTVNW-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole
CID 4540969
2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 164664284
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 142624947
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
CID 55184388
ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 66821777
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
1-chloro-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
CID 164664996
8-ethoxy-4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17237539

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole (CID 4657849) is 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole is CCOc1ccc2c(c1)CC(c1cc(C)sc1C)N2.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole?
The InChIKey is MSKKQNIFGNTVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-18-13-5-6-15-12(8-13)9-16(17-15)14-7-10(2)19-11(14)3/h5-8,16-17H,4,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole?
2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole has a molecular weight of 273.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 4657849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).