2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone

C16H16N2O2S — CID 2459051

IUPAC2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)c1ccc[nH]1
InChIInChI=1S/C16H16N2O2S/c19-16(15-6-1-7-17-15)12-18(10-13-4-2-8-20-13)11-14-5-3-9-21-14/h1-9,17H,10-12H2
InChIKeyUYNBLCIVAJGAHJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.55
Rot. Bonds7

About 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 2459051) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID2459051
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)c1ccc[nH]1
InChIInChI=1S/C16H16N2O2S/c19-16(15-6-1-7-17-15)12-18(10-13-4-2-8-20-13)11-14-5-3-9-21-14/h1-9,17H,10-12H2
InChIKeyUYNBLCIVAJGAHJ-UHFFFAOYSA-N
XLogP3.55
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 2459051) is 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is O=C(CN(Cc1ccco1)Cc1cccs1)c1ccc[nH]1.
What is the InChIKey of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is UYNBLCIVAJGAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-16(15-6-1-7-17-15)12-18(10-13-4-2-8-20-13)11-14-5-3-9-21-14/h1-9,17H,10-12H2.
What are the key properties of 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 300.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 2459051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).