4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide

C15H15NO3S — CID 62031014

IUPAC4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide
SMILESNC(=O)c1ccc(OCCCC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO3S/c16-15(18)11-5-7-12(8-6-11)19-9-1-3-13(17)14-4-2-10-20-14/h2,4-8,10H,1,3,9H2,(H2,16,18)
InChIKeyAOMLCLQYLGZOBI-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.89
Rot. Bonds7

About 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide

4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide (PubChem CID 62031014) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide.

Molecular Properties

Compound Name4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide
PubChem CID62031014
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide
SMILESNC(=O)c1ccc(OCCCC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO3S/c16-15(18)11-5-7-12(8-6-11)19-9-1-3-13(17)14-4-2-10-20-14/h2,4-8,10H,1,3,9H2,(H2,16,18)
InChIKeyAOMLCLQYLGZOBI-UHFFFAOYSA-N
XLogP2.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
CID 62030071
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
(2-oxo-2-thiophen-2-ylethyl) 4-(2-amino-2-oxoethoxy)benzoate
CID 8678423
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide?
The IUPAC name of 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide (CID 62031014) is 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide.
What is the SMILES notation for 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide?
The canonical SMILES for 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide is NC(=O)c1ccc(OCCCC(=O)c2cccs2)cc1.
What is the InChIKey of 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide?
The InChIKey is AOMLCLQYLGZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c16-15(18)11-5-7-12(8-6-11)19-9-1-3-13(17)14-4-2-10-20-14/h2,4-8,10H,1,3,9H2,(H2,16,18).
What are the key properties of 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide?
4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide is sourced from PubChem (CID 62031014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).