N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide

C16H18FNOS — CID 110297704

IUPACN-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FNOS/c17-14-9-7-13(8-10-14)12-18-16(19)6-2-1-4-15-5-3-11-20-15/h3,5,7-11H,1-2,4,6,12H2,(H,18,19)
InChIKeyCSMSQWGLZBIPFO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.92
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide

N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide (PubChem CID 110297704) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
PubChem CID110297704
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FNOS/c17-14-9-7-13(8-10-14)12-18-16(19)6-2-1-4-15-5-3-11-20-15/h3,5,7-11H,1-2,4,6,12H2,(H,18,19)
InChIKeyCSMSQWGLZBIPFO-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529201
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
N-[(4-fluorophenyl)methyl]-8-oxooctanamide
CID 90932899

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide (CID 110297704) is N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide is O=C(CCCCc1cccs1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide?
The InChIKey is CSMSQWGLZBIPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c17-14-9-7-13(8-10-14)12-18-16(19)6-2-1-4-15-5-3-11-20-15/h3,5,7-11H,1-2,4,6,12H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide?
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide has a molecular weight of 291.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110297704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).