2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide

C27H26N4O4 — CID 22511005

IUPAC2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2c(C(=O)N3CCN(c4ccccn4)CC3)oc3ccccc23)c1
InChIInChI=1S/C27H26N4O4/c1-19-7-6-8-20(17-19)34-18-24(32)29-25-21-9-2-3-10-22(21)35-26(25)27(33)31-15-13-30(14-16-31)23-11-4-5-12-28-23/h2-12,17H,13-16,18H2,1H3,(H,29,32)
InChIKeyNWUCKGTWDFJGCN-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.12
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide

2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 22511005) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID22511005
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2c(C(=O)N3CCN(c4ccccn4)CC3)oc3ccccc23)c1
InChIInChI=1S/C27H26N4O4/c1-19-7-6-8-20(17-19)34-18-24(32)29-25-21-9-2-3-10-22(21)35-26(25)27(33)31-15-13-30(14-16-31)23-11-4-5-12-28-23/h2-12,17H,13-16,18H2,1H3,(H,29,32)
InChIKeyNWUCKGTWDFJGCN-UHFFFAOYSA-N
XLogP4.12
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 22511004
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104764
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
2-(3,4-dimethoxyphenyl)-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511090
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide (CID 22511005) is 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide is Cc1cccc(OCC(=O)Nc2c(C(=O)N3CCN(c4ccccn4)CC3)oc3ccccc23)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is NWUCKGTWDFJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-19-7-6-8-20(17-19)34-18-24(32)29-25-21-9-2-3-10-22(21)35-26(25)27(33)31-15-13-30(14-16-31)23-11-4-5-12-28-23/h2-12,17H,13-16,18H2,1H3,(H,29,32).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 22511005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).