furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone

C20H18N2O3S — CID 2496667

IUPACfuran-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3S/c23-19(17-7-4-13-25-17)21-9-11-22(12-10-21)20(24)18-16(8-14-26-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChIKeyRQXAQNLLFXFZKO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.61
Rot. Bonds3

About furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 2496667) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID2496667
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Namefuran-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3S/c23-19(17-7-4-13-25-17)21-9-11-22(12-10-21)20(24)18-16(8-14-26-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChIKeyRQXAQNLLFXFZKO-UHFFFAOYSA-N
XLogP3.61
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone (CID 2496667) is furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1.
What is the InChIKey of furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RQXAQNLLFXFZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19(17-7-4-13-25-17)21-9-11-22(12-10-21)20(24)18-16(8-14-26-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2.
What are the key properties of furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2496667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).