ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate

C15H13NO2S — CID 23584883

IUPACethyl 2-thiophen-2-yl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)13-10-6-3-4-7-11(10)16-14(13)12-8-5-9-19-12/h3-9,16H,2H2,1H3
InChIKeyWZJAOPARSVWDDD-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.07
Rot. Bonds3

About ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate

ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate (PubChem CID 23584883) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-yl-1H-indole-3-carboxylate
PubChem CID23584883
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Nameethyl 2-thiophen-2-yl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)13-10-6-3-4-7-11(10)16-14(13)12-8-5-9-19-12/h3-9,16H,2H2,1H3
InChIKeyWZJAOPARSVWDDD-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
Methyl 2-thien-2-ylquinoline-4-carboxylate
CID 3577080
methyl (E)-3-[2-(2-thienyl)-1H-indol-3-yl]prop-2-enoate
CID 15732916
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 3505580
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
ethyl 2-(2-((1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4178118
ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 4693061
methyl (Z)-3-[2-(2-thienyl)-1H-indol-3-yl]prop-2-enoate
CID 15732917
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
methyl 2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole-6-carboxylate
CID 155514785
Methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole
CID 614717

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate (CID 23584883) is ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate is CCOC(=O)c1c(-c2cccs2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate?
The InChIKey is WZJAOPARSVWDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-18-15(17)13-10-6-3-4-7-11(10)16-14(13)12-8-5-9-19-12/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate?
ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate is sourced from PubChem (CID 23584883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).