N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide

C26H35N3O3S — CID 25064207

IUPACN-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4cccs4)coc3c2)CC1
InChIInChI=1S/C26H35N3O3S/c1-20(2)27-26(30)18-29-13-11-28(12-14-29)10-4-3-5-15-31-21-8-9-22-23(19-32-24(22)17-21)25-7-6-16-33-25/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3,(H,27,30)
InChIKeyJMPJNYWWAZPIDW-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.85
Rot. Bonds11

About N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide (PubChem CID 25064207) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide
PubChem CID25064207
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4cccs4)coc3c2)CC1
InChIInChI=1S/C26H35N3O3S/c1-20(2)27-26(30)18-29-13-11-28(12-14-29)10-4-3-5-15-31-21-8-9-22-23(19-32-24(22)17-21)25-7-6-16-33-25/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3,(H,27,30)
InChIKeyJMPJNYWWAZPIDW-UHFFFAOYSA-N
XLogP4.85
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064629
2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064630
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 25065250
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-ethylacetamide
CID 25065860
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887
2-[4-[5-[4-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25005599
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
CID 69170073
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide (CID 25064207) is N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4cccs4)coc3c2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide?
The InChIKey is JMPJNYWWAZPIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-20(2)27-26(30)18-29-13-11-28(12-14-29)10-4-3-5-15-31-21-8-9-22-23(19-32-24(22)17-21)25-7-6-16-33-25/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3,(H,27,30).
What are the key properties of N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide has a molecular weight of 469.65 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 25064207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).