N-butyl-4-thiophen-3-ylbenzamide

C15H17NOS — CID 155529683

IUPACN-butyl-4-thiophen-3-ylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-2-3-9-16-15(17)13-6-4-12(5-7-13)14-8-10-18-11-14/h4-8,10-11H,2-3,9H2,1H3,(H,16,17)
InChIKeySFZHPEXMQZPWLT-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.94
Rot. Bonds5

About N-butyl-4-thiophen-3-ylbenzamide

N-butyl-4-thiophen-3-ylbenzamide (PubChem CID 155529683) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-butyl-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-butyl-4-thiophen-3-ylbenzamide
PubChem CID155529683
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-butyl-4-thiophen-3-ylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-2-3-9-16-15(17)13-6-4-12(5-7-13)14-8-10-18-11-14/h4-8,10-11H,2-3,9H2,1H3,(H,16,17)
InChIKeySFZHPEXMQZPWLT-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-butyl-4-phenylbenzamide
CID 3637649
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide
CID 164675630
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
N-decyl-4-hydroxybenzamide
CID 15277871
N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155561861
N-[3-[butyl(octyl)amino]propyl]-4-[4-[3-[butyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955599
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-thiophen-3-ylbenzamide
CID 100701158
N-butyl-4-formylbenzamide
CID 118474745

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-thiophen-3-ylbenzamide?
The IUPAC name of N-butyl-4-thiophen-3-ylbenzamide (CID 155529683) is N-butyl-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-butyl-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-butyl-4-thiophen-3-ylbenzamide is CCCCNC(=O)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-butyl-4-thiophen-3-ylbenzamide?
The InChIKey is SFZHPEXMQZPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-3-9-16-15(17)13-6-4-12(5-7-13)14-8-10-18-11-14/h4-8,10-11H,2-3,9H2,1H3,(H,16,17).
What are the key properties of N-butyl-4-thiophen-3-ylbenzamide?
N-butyl-4-thiophen-3-ylbenzamide has a molecular weight of 259.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 155529683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).