N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide

C16H19NO2S — CID 2162220

IUPACN-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide
SMILESCOc1ccc(NC(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-19-14-10-8-13(9-11-14)17-16(18)7-3-2-5-15-6-4-12-20-15/h4,6,8-12H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyIKXLUXOORDXRJM-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.11
Rot. Bonds7

About N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide

N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide (PubChem CID 2162220) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide
PubChem CID2162220
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide
SMILESCOc1ccc(NC(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-19-14-10-8-13(9-11-14)17-16(18)7-3-2-5-15-6-4-12-20-15/h4,6,8-12H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyIKXLUXOORDXRJM-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide?
The IUPAC name of N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide (CID 2162220) is N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide is COc1ccc(NC(=O)CCCCc2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide?
The InChIKey is IKXLUXOORDXRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-19-14-10-8-13(9-11-14)17-16(18)7-3-2-5-15-6-4-12-20-15/h4,6,8-12H,2-3,5,7H2,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide?
N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide has a molecular weight of 289.40 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 2162220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).