ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate

C16H15NO2S2 — CID 674277

IUPACethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C16H15NO2S2/c1-2-19-14(18)10-21-16-11-6-3-4-7-12(11)17-15(16)13-8-5-9-20-13/h3-9,17H,2,10H2,1H3
InChIKeyRPMRHXZIJWNMJC-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.55
Rot. Bonds5

About ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate

ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate (PubChem CID 674277) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate
PubChem CID674277
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC Nameethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C16H15NO2S2/c1-2-19-14(18)10-21-16-11-6-3-4-7-12(11)17-15(16)13-8-5-9-20-13/h3-9,17H,2,10H2,1H3
InChIKeyRPMRHXZIJWNMJC-UHFFFAOYSA-N
XLogP4.55
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate (CID 674277) is ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate is CCOC(=O)CSc1c(-c2cccs2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate?
The InChIKey is RPMRHXZIJWNMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-2-19-14(18)10-21-16-11-6-3-4-7-12(11)17-15(16)13-8-5-9-20-13/h3-9,17H,2,10H2,1H3.
What are the key properties of ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate?
ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate has a molecular weight of 317.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetate is sourced from PubChem (CID 674277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).