4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one

C15H17NOS — CID 116612699

IUPAC4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
SMILESCC(CC(=O)Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C15H17NOS/c1-11(12-4-6-13(16)7-5-12)9-14(17)10-15-3-2-8-18-15/h2-8,11H,9-10,16H2,1H3
InChIKeyKYXUTQWCAKBCHB-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one

4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one (PubChem CID 116612699) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
PubChem CID116612699
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
SMILESCC(CC(=O)Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C15H17NOS/c1-11(12-4-6-13(16)7-5-12)9-14(17)10-15-3-2-8-18-15/h2-8,11H,9-10,16H2,1H3
InChIKeyKYXUTQWCAKBCHB-UHFFFAOYSA-N
XLogP3.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

thiophen-2-ylmethyl 3-(4-aminophenyl)butanoate
CID 104503252
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one
CID 114935521
4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one
CID 107311478
5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-one
CID 105088730
4-(4-aminophenyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116612829
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
1-methylsulfonyl-3-thiophen-2-ylpropan-2-one
CID 62622490
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
CID 104501740
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
CID 116549524
4-propan-2-yloxy-1-thiophen-2-ylbutan-2-one
CID 115001827

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one?
The IUPAC name of 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one (CID 116612699) is 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one?
The canonical SMILES for 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one is CC(CC(=O)Cc1cccs1)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one?
The InChIKey is KYXUTQWCAKBCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(12-4-6-13(16)7-5-12)9-14(17)10-15-3-2-8-18-15/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one?
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 116612699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).