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

C16H17NO2S — CID 36843403

IUPAC5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C16H17NO2S/c1-12(18)14-9-10-15(20-14)16(19)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,19)
InChIKeyHJXGRGTYAGDUHT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.31
Rot. Bonds6

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

5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide (PubChem CID 36843403) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
PubChem CID36843403
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C16H17NO2S/c1-12(18)14-9-10-15(20-14)16(19)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,19)
InChIKeyHJXGRGTYAGDUHT-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.31
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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Related Compounds

[(1S)-5-[(5-acetylthiophene-2-carbonyl)amino]-1-carboxypentyl]azanium chloride
CID 87371359
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
2,3-dimethyl-4-oxo-4-(3-phenylpropylamino)but-2-enoic acid
CID 76991316
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide (CID 36843403) is 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCCCc2ccccc2)s1.
What is the InChIKey of 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is HJXGRGTYAGDUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12(18)14-9-10-15(20-14)16(19)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,19).
What are the key properties of 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide?
5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 36843403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).