[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate

C16H13NO3S — CID 3937877

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NO3S/c18-15(9-20-16(19)7-11-5-6-21-10-11)13-8-17-14-4-2-1-3-12(13)14/h1-6,8,10,17H,7,9H2
InChIKeyIKYSGICLFHSNDU-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.20
Rot. Bonds5

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 3937877) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID3937877
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NO3S/c18-15(9-20-16(19)7-11-5-6-21-10-11)13-8-17-14-4-2-1-3-12(13)14/h1-6,8,10,17H,7,9H2
InChIKeyIKYSGICLFHSNDU-UHFFFAOYSA-N
XLogP3.20
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 3362624
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7899244
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9264646
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2689640
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2453041

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 3937877) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(Cc1ccsc1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is IKYSGICLFHSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-15(9-20-16(19)7-11-5-6-21-10-11)13-8-17-14-4-2-1-3-12(13)14/h1-6,8,10,17H,7,9H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 299.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 3937877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).