[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C16H17BrN2O3S — CID 17173282

IUPAC[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1sc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Br
InChIInChI=1S/C16H17BrN2O3S/c1-2-13-11(17)10-14(23-13)16(21)19-7-5-18(6-8-19)15(20)12-4-3-9-22-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyMXJOAQJHKSFTFV-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.26
Rot. Bonds3

About [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 17173282) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID17173282
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1sc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Br
InChIInChI=1S/C16H17BrN2O3S/c1-2-13-11(17)10-14(23-13)16(21)19-7-5-18(6-8-19)15(20)12-4-3-9-22-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyMXJOAQJHKSFTFV-UHFFFAOYSA-N
XLogP3.26
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 17432756
N-[(5-bromothiophen-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167920
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71703113
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911866
N'-[(3-bromophenyl)methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166542
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 17173282) is [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is CCc1sc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Br.
What is the InChIKey of [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MXJOAQJHKSFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-2-13-11(17)10-14(23-13)16(21)19-7-5-18(6-8-19)15(20)12-4-3-9-22-12/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 397.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-5-ethylthiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 17173282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).