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

C17H21NOS — CID 4290554

IUPACN-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
SMILESCc1ccc(CNC(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-14-8-10-15(11-9-14)13-18-17(19)7-3-2-5-16-6-4-12-20-16/h4,6,8-12H,2-3,5,7,13H2,1H3,(H,18,19)
InChIKeyPTLTXLHNXQBJCQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.09
Rot. Bonds7

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

N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide (PubChem CID 4290554) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
PubChem CID4290554
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
SMILESCc1ccc(CNC(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-14-8-10-15(11-9-14)13-18-17(19)7-3-2-5-16-6-4-12-20-16/h4,6,8-12H,2-3,5,7,13H2,1H3,(H,18,19)
InChIKeyPTLTXLHNXQBJCQ-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.09
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-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
CID 110415330

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide (CID 4290554) is N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide is Cc1ccc(CNC(=O)CCCCc2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide?
The InChIKey is PTLTXLHNXQBJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-14-8-10-15(11-9-14)13-18-17(19)7-3-2-5-16-6-4-12-20-16/h4,6,8-12H,2-3,5,7,13H2,1H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide?
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide has a molecular weight of 287.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 4290554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).