5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide

C15H17NOS — CID 2225360

IUPAC5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C15H17NOS/c1-12-9-10-14(18-12)15(17)16-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,16,17)
InChIKeyAUQPEDZOISHTEY-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.42
Rot. Bonds5

About 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide

5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide (PubChem CID 2225360) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide
PubChem CID2225360
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C15H17NOS/c1-12-9-10-14(18-12)15(17)16-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,16,17)
InChIKeyAUQPEDZOISHTEY-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide (CID 2225360) is 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide is Cc1ccc(C(=O)NCCCc2ccccc2)s1.
What is the InChIKey of 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is AUQPEDZOISHTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-9-10-14(18-12)15(17)16-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2225360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).