5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C25H36N4O4S — CID 55763957

IUPAC5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)CC2)c1
InChIInChI=1S/C25H36N4O4S/c1-20-8-7-9-22(18-20)28-16-14-27(15-17-28)11-4-3-10-26-25(30)23-19-24(21(2)33-23)34(31,32)29-12-5-6-13-29/h7-9,18-19H,3-6,10-17H2,1-2H3,(H,26,30)
InChIKeyUIMNYWKWEJUKOI-UHFFFAOYSA-N
MW488.65 g/mol
LogP3.01
Rot. Bonds9

About 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55763957) has the molecular formula C25H36N4O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55763957
Molecular FormulaC25H36N4O4S
Molecular Weight488.65 g/mol
Exact Mass488.25
IUPAC Name5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)CC2)c1
InChIInChI=1S/C25H36N4O4S/c1-20-8-7-9-22(18-20)28-16-14-27(15-17-28)11-4-3-10-26-25(30)23-19-24(21(2)33-23)34(31,32)29-12-5-6-13-29/h7-9,18-19H,3-6,10-17H2,1-2H3,(H,26,30)
InChIKeyUIMNYWKWEJUKOI-UHFFFAOYSA-N
XLogP3.01
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 53.01
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-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38441347
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55763957) is 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1cccc(N2CCN(CCCCNC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)CC2)c1.
What is the InChIKey of 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is UIMNYWKWEJUKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4S/c1-20-8-7-9-22(18-20)28-16-14-27(15-17-28)11-4-3-10-26-25(30)23-19-24(21(2)33-23)34(31,32)29-12-5-6-13-29/h7-9,18-19H,3-6,10-17H2,1-2H3,(H,26,30).
What are the key properties of 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 488.65 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55763957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).