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

C14H15NOS — CID 116549524

IUPAC1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
SMILESNc1ccc(CC(=O)CCc2cccs2)cc1
InChIInChI=1S/C14H15NOS/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9H,7-8,10,15H2
InChIKeyWPKVFCIAODUCFI-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.07
Rot. Bonds5

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

1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one (PubChem CID 116549524) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
PubChem CID116549524
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
SMILESNc1ccc(CC(=O)CCc2cccs2)cc1
InChIInChI=1S/C14H15NOS/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9H,7-8,10,15H2
InChIKeyWPKVFCIAODUCFI-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-4-thiophen-2-ylbutan-2-one
CID 55236513
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
4-phenyl-1-thiophen-2-ylbutan-2-one
CID 61054077
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
4-(4-aminophenyl)-1-(3,5-dimethylphenyl)butan-2-one
CID 116605365
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
CID 116612699
2-propanoyloxyethyl 3-oxo-5-thiophen-2-ylpentanoate
CID 174636106

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one (CID 116549524) is 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one is Nc1ccc(CC(=O)CCc2cccs2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one?
The InChIKey is WPKVFCIAODUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9H,7-8,10,15H2.
What are the key properties of 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one?
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one has a molecular weight of 245.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 116549524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).