ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate

C17H15NO3S — CID 138373891

IUPACethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(=O)c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C17H15NO3S/c1-2-21-15(19)10-12-11-6-3-4-7-13(11)18-16(12)17(20)14-8-5-9-22-14/h3-9,18H,2,10H2,1H3
InChIKeyAITWRIROAAGBHA-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.57
Rot. Bonds5

About ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate

ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate (PubChem CID 138373891) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
PubChem CID138373891
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Nameethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(=O)c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C17H15NO3S/c1-2-21-15(19)10-12-11-6-3-4-7-13(11)18-16(12)17(20)14-8-5-9-22-14/h3-9,18H,2,10H2,1H3
InChIKeyAITWRIROAAGBHA-UHFFFAOYSA-N
XLogP3.57
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate 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

ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577846
ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate
CID 54165251
ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 102534196
ethyl 2-[2-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577848
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate (CID 138373891) is ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate is CCOC(=O)Cc1c(C(=O)c2cccs2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate?
The InChIKey is AITWRIROAAGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-2-21-15(19)10-12-11-6-3-4-7-13(11)18-16(12)17(20)14-8-5-9-22-14/h3-9,18H,2,10H2,1H3.
What are the key properties of ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate?
ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate has a molecular weight of 313.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 138373891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).