2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole

C18H21NOS — CID 129059198

IUPAC2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole
SMILESCc1cc(CCc2cc(CCc3csc(C)c3)c[nH]2)co1
InChIInChI=1S/C18H21NOS/c1-13-7-16(11-20-13)5-6-18-9-15(10-19-18)3-4-17-8-14(2)21-12-17/h7-12,19H,3-6H2,1-2H3
InChIKeyZTQFNARFAJJCBG-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.86
Rot. Bonds6

About 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole

2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole (PubChem CID 129059198) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole
PubChem CID129059198
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole
SMILESCc1cc(CCc2cc(CCc3csc(C)c3)c[nH]2)co1
InChIInChI=1S/C18H21NOS/c1-13-7-16(11-20-13)5-6-18-9-15(10-19-18)3-4-17-8-14(2)21-12-17/h7-12,19H,3-6H2,1-2H3
InChIKeyZTQFNARFAJJCBG-UHFFFAOYSA-N
XLogP4.86
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole?
The IUPAC name of 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole (CID 129059198) is 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole?
The canonical SMILES for 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole is Cc1cc(CCc2cc(CCc3csc(C)c3)c[nH]2)co1.
What is the InChIKey of 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole?
The InChIKey is ZTQFNARFAJJCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-7-16(11-20-13)5-6-18-9-15(10-19-18)3-4-17-8-14(2)21-12-17/h7-12,19H,3-6H2,1-2H3.
What are the key properties of 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole?
2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole has a molecular weight of 299.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-3-yl)ethyl]-4-[2-(5-methylthiophen-3-yl)ethyl]-1H-pyrrole is sourced from PubChem (CID 129059198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).