N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide

C26H23N3O5 — CID 20925872

IUPACN-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12
InChIInChI=1S/C26H23N3O5/c1-17-7-2-3-8-18(17)24(30)27-22-19-9-4-5-10-20(19)34-23(22)26(32)29-14-12-28(13-15-29)25(31)21-11-6-16-33-21/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyVOKWXBIFJHLUSK-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.18
Rot. Bonds4

About N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide (PubChem CID 20925872) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
PubChem CID20925872
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12
InChIInChI=1S/C26H23N3O5/c1-17-7-2-3-8-18(17)24(30)27-22-19-9-4-5-10-20(19)34-23(22)26(32)29-14-12-28(13-15-29)25(31)21-11-6-16-33-21/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyVOKWXBIFJHLUSK-UHFFFAOYSA-N
XLogP4.18
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methoxybenzamide
CID 20925969
2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925927
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-3-nitrobenzamide
CID 46271164
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925967
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide (CID 20925872) is N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
The InChIKey is VOKWXBIFJHLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-17-7-2-3-8-18(17)24(30)27-22-19-9-4-5-10-20(19)34-23(22)26(32)29-14-12-28(13-15-29)25(31)21-11-6-16-33-21/h2-11,16H,12-15H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide has a molecular weight of 457.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide is sourced from PubChem (CID 20925872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).