methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate

C14H11NO2S2 — CID 162406023

IUPACmethyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Sc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H11NO2S2/c1-17-14(16)13-12(5-7-18-13)19-10-2-3-11-9(8-10)4-6-15-11/h2-8,15H,1H3
InChIKeyNLGBHKSJXOSIIR-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.17
Rot. Bonds3

About methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate

methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate (PubChem CID 162406023) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate
PubChem CID162406023
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Namemethyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Sc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H11NO2S2/c1-17-14(16)13-12(5-7-18-13)19-10-2-3-11-9(8-10)4-6-15-11/h2-8,15H,1H3
InChIKeyNLGBHKSJXOSIIR-UHFFFAOYSA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
[2-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate
CID 16745596
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
(E)-3-(1H-indol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 5760357
[1-(1H-pyrrol-3-yl)ethylideneamino] 1-benzothiophene-2-carboxylate
CID 2800137
3-[methoxy(thiophen-2-yl)methyl]-1H-indole
CID 611469
[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2689686
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 4124162
methyl 2-(1H-indole-3-carboxamido)thiophene-3-carboxylate
CID 44006880
[(Z)-1-(1H-pyrrol-3-yl)ethylideneamino] 1-benzothiophene-2-carboxylate
CID 136783016
ethyl 2-thiophen-2-yl-1H-indole-3-carboxylate
CID 23584883
methyl 3-amino-4-(1H-indol-5-yl)-5-phenylthiophene-2-carboxylate
CID 67265010

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate (CID 162406023) is methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate is COC(=O)c1sccc1Sc1ccc2[nH]ccc2c1.
What is the InChIKey of methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate?
The InChIKey is NLGBHKSJXOSIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c1-17-14(16)13-12(5-7-18-13)19-10-2-3-11-9(8-10)4-6-15-11/h2-8,15H,1H3.
What are the key properties of methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate?
methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-5-ylsulfanyl)thiophene-2-carboxylate is sourced from PubChem (CID 162406023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).